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Organic Intermediate
Picolinaldehyde, 4-acetyl- (8CI)
CAS:
20857-19-6
MW:
149.149
MF:
C8H7NO2
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Picolinaldehyde, 4-acetyl- (8CI)
1.2 Synonyms
2-Pyridinecarboxaldehyde, 4-acetyl-; 4-Acetylpicolinaldehyde; Picolinaldehyde, 4-acetyl- (8CI);
1.3 CAS No.
20857-19-6
1.4 CID
45083668
1.5 Molecular Formula
C8H7NO2
1.6 Inchi
InChI=1S/C8H7NO2/c1-6(11)7-2-3-9-8(4-7)5-10/h2-5H,1H3
1.7 InChkey
KYAZRIAUJGHNBG-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=O)C1=CC(=NC=C1)C=O
1.9 Isomers Smiles
CC(=O)C1=CC(=NC=C1)C=O
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. Computed Properties
Molecular Weight:
149.149g/mol
Molecular Formula:
C
8
H
7
NO
2
Compound Is Canonicalized:
True
Exact Mass:
0.3
XLogP3-AA:
149.047678466
Monoisotopic Mass:
149.047678466
Complexity:
168
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
47
Heavy Atom Count::
11
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:
AAADcYByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAADAzhngY+gJIIEACoA7x3xACCgCA3AiAI2CG4ZNgIIHLAlbGEIQhggADIyYccCgAuAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Toltal 1 Suppliers
View more
Atomax Chemicals Co.,Ltd
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Update Time:
2019/07/29
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5. Realated Product Infomation
6-(MethoxyMethyl)picolinaldehyde
cas:890904-66-2
4-(Benzyloxy)picolinaldehyde
cas:63071-14-7
Nicotinaldehyde, 6-acetyl- (8CI)
cas:20857-20-9
3-(Benzyloxy)-2-picolinaldehyde
cas:94454-57-6
3-picolinaldehyde-N-oxide
cas:22346-73-2
Picolinaldehyde, 3-propyl- (6CI)
cas:98995-83-6
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.
Msds
3.
Computational chemical data
4.
Toltal 1 Suppliers
5.
Realated Product Infomation
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