Encyclopedia
EN
ZH
EN
ES
FR
DE
KR
JP
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
/
Organic Intermediate
Anisole, 3-isopropyl-5-methyl- (7CI)
CAS:
91967-53-2
MW:
164.24414
MF:
C11H16O
 
Email
 
Tweet
 
Share
Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Anisole, 3-isopropyl-5-methyl- (7CI)
1.2 Synonyms
1-Isopropyl-3-methoxy-5-methylbenzene; 1-Methoxy-3-methyl-5-(propan-2-yl)benzene; ANISOLE, 3-ISOPROPYL-5-METHYL-; Anisole, 3-isopropyl-5-methyl- (7CI); Benzene, 1-methoxy-3-methyl-5-(1-methylethyl)-;
1.3 CAS No.
91967-53-2
1.4 CID
22087530
1.5 Molecular Formula
C11H16O
1.6 Inchi
InChI=1S/C11H16O/c1-8(2)10-5-9(3)6-11(7-10)12-4/h5-8H,1-4H3
1.7 InChkey
SNBUMPJLHQPLII-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=CC(=C1)OC)C(C)C
1.9 Isomers Smiles
CC1=CC(=CC(=C1)OC)C(C)C
2. Synthesis Route
91967-53-2
Total: 1 Synthesis Route
3228-03-3
14 Suppliers
77-78-1
91 Suppliers
91967-53-2
1 Suppliers
3. Precursor and Product
precursor:
3228-03-3
77-78-1
4. Computed Properties
Molecular Weight:
164.24414g/mol
Molecular Formula:
C
11
H
16
O
Compound Is Canonicalized:
True
XLogP3-AA:
164.120115130
Monoisotopic Mass:
164.120115130
Complexity:
131
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
9.2
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:
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADQSAmAIyBoAABACAAiBCAAACCAAgIAAAiAAGCIgMJiKEMRqAMCAkwBEIqAeAwPAOgAADAAAAAAAAAAYAAAAAAAAAAAAAAA==
5. Toltal 1 Suppliers
View more
Atomax Chemicals Co.,Ltd
Tel:
Update Time:
2019/07/29
inquire
6. Realated Product Infomation
Anisole, 3-ethynyl-2-isopropyl- (7CI)
cas:92722-74-2
Anisole, m-(p-tolyl)- (7CI,8CI)
cas:24423-07-2
Anisole, p-2-naphthyl- (6CI,7CI)
cas:59115-45-6
Anisole, p-1-naphthyl- (6CI,7CI)
cas:27331-33-5
Anisole, p-(p-fluoro-a-phenylstyryl)- (7CI,8CI)
cas:1237-20-3
Anisole, p-(p-chloro-a-phenylstyryl)- (7CI,8CI)
cas:1503-60-2
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.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 1 Suppliers
6.
Realated Product Infomation
Cancel
CAS
Products
Suppliers
Popular Searches
Request For Quotation