Encyclopedia
EN
ZH
EN
Sign in
|
Join Free
Category
Organic Intermediates
Pharmaceuticals and Biochemicals
Basic Organic Chemicals
Agrochemicals
Inorganic Chemicals
Catalyst and Auxiliary
Custom Manufacturing
Food & Feed Additives
Daily Chemicals
Dyestuffs and Pigments
Laboratory Chemicals
Adhesives and Sealants
Flavour & Fragrance
Paint and Coatings
Polymer
Metals and Minerals
Encyclopedia
Chemicals Encyclopedia
Cosmetic Ingredients
Dictionary
English
Deutsch
Français
Español
日本語
한국어
Supplier
Buyer Request
TradeShow
FAQs
Structure Search
About Us
Encyclopedia
Benzoic acid, hydroxy-,ethyl ester
CAS:
1321-50-2
MW:
166.1739
MF:
C9H10O3
 
Email
 
Tweet
 
Share
Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Benzoic acid, hydroxy-,ethyl ester
1.2 Synonyms
112291_ALDRICH; 2-Hydroxybenzoic acid ethyl ester; 4-10-00-00149 (Beilstein Handbook Reference); AC1L1QUE; AC1Q33MS; AC1Q64KS; AI3-00513; AKOS000120529; AR-1L3946; Benzoic acid, 2-hydroxy-, ethyl ester; Benzoic acid, hydroxy-, ethyl ester; BRN 0907659; EINECS 204-265-5; ETHYL 2-HYDROXYBENZOATE; Ethyl hydroxybenzoate; Ethyl o-hydroxybenzoate; Ethyl salicylate; FEMA No. 2458; I01-7776; InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H; LS-2748; Mesotol; NCGC00181161-01; NCGC00181161-02; NCGC00181161-03; NSC 8209; NSC8209; NSC-8209; o-(Ethoxycarbonyl)phenol; S0011; Sal ether; Sal ethyl; Salicyclic acid, ethyl ester; Salicylic Acid Ethyl Ester; Salicylic acid, ethyl ester; Salicylic ether; Salicylic ethyl ester; Salotan; SBB058594; STK397384; UNII-555U6TZ2MV; W245801_ALDRICH; WLN: QR BVO2; ZINC00157490;
View all
1.3 CAS No.
1321-50-2
1.4 CID
8365
1.5 Molecular Formula
C9H10O3
1.6 Inchi
InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
1.7 InChkey
GYCKQBWUSACYIF-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(=O)C1=CC=CC=C1O
1.9 Isomers Smiles
CCOC(=O)C1=CC=CC=C1O
2. Properties
2.1 pKa
pKa1 9.92 (25 °, 0.1M KCl)
2.2 Water Solubility
slightly soluble in water, glycerol; soluble in organic solvents, oils
3. Computed Properties
Molecular Weight:
166.1739g/mol
Molecular Formula:
C
9
H
10
O
3
Compound Is Canonicalized:
True
XLogP3-AA:
166.062994177
Monoisotopic Mass:
166.062994177
Complexity:
156
Rotatable Bond Count:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
46.5
Heavy Atom Count::
12
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACAAAkIAAIiAEGCMgIJzaCNRqCcUAl4BEIuYeIyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==
4. Toltal 1 Suppliers
View more
Penta Manufacturing Co.
Tel:
Update Time:
2010/11/13
inquire
5. Realated Product Infomation
2-HYDROXY-5-METHOXY-BENZOIC ACID ETHYL ESTER
cas:22775-40-2
Benzoic acid, 2-bromo-5-hydroxy-, ethyl ester
cas:102297-71-2
3-HYDROXY-4-NITRO-BENZOIC ACID ETHYL ESTER
cas:717-01-1
BENZOIC ACID, 2-CHLORO-5-HYDROXY-, ETHYL ESTER
cas:39062-63-0
Benzoic acid, 5-broMo-2-hydroxy-, ethyl ester
cas:37540-59-3
4-(4-Hydroxy-phenylazo)benzoic acid ethyl ester
cas:4418-89-7
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 pKa
2.2 Water Solubility
3.
Computational chemical data
4.
Toltal 1 Suppliers
5.
Realated Product Infomation
Cancel
CAS
Products
Suppliers
Popular Searches
Request For Quotation