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125104-34-9 | 4-Pyridinecarboxylic acid, 2-formyl-, methyl ester
CAS No: 125104-34-9 Catalog No: AG000N7E MDL No:MFCD14582033
Product Description
Catalog Number:
AG000N7E
Chemical Name:
4-Pyridinecarboxylic acid, 2-formyl-, methyl ester
CAS Number:
125104-34-9
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD14582033
IUPAC Name:
methyl 2-formylpyridine-4-carboxylate
InChI:
InChI=1S/C8H7NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-5H,1H3
InChI Key:
FLXVRBSKKVMMQQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)C=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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