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133155-82-5 | 2-Pyridinecarboxylic acid, 3-formyl-, methyl ester
CAS No: 133155-82-5 Catalog No: AG0014CU MDL No:MFCD11100670
Product Description
Catalog Number:
AG0014CU
Chemical Name:
2-Pyridinecarboxylic acid, 3-formyl-, methyl ester
CAS Number:
133155-82-5
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD11100670
IUPAC Name:
methyl 3-formylpyridine-2-carboxylate
InChI:
InChI=1S/C8H7NO3/c1-12-8(11)7-6(5-10)3-2-4-9-7/h2-5H,1H3
InChI Key:
PSXKRBGWRMVIPG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncccc1C=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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