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methyl 3-formylpyridine-4-carboxylate

methyl 3-formylpyridine-4-carboxylate

CAS: 1211592-55-0

Formula: C8H7NO3

SMILES: COC(=O)C1=CC=NC=C1C=O

IUPAC: methyl 3-formylpyridine-4-carboxylate

InChI: InChI=1S/C8H7NO3/c1-12-8(11)7-2-3-9-4-6(7)5-10/h2-5H,1H3

Composition: C (58.18%), H (4.27%), N (8.48%), O (29.06%)

Molar Mass: 165.148

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 165.042593089
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PDCJLPZZVYXQJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.51
Topological Polar Surface Area 56.26
Polarizability 15.8
Ring Count 1
Rotatable Bond Count 3

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