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2-acetylpyridine-3-carboxylic acid

2-acetylpyridine-3-carboxylic acid

CAS: 89942-59-6

Formula: C8H7NO3

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

IUPAC: 2-acetylpyridine-3-carboxylic acid

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

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 4
Hydrogen Bond Donor Count 1
InChIKey JYUCDFZMJMRPHS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.19
Topological Polar Surface Area 67.26
Polarizability 15.57
Ring Count 1
Rotatable Bond Count 2

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95% <7 Days 89942-59-6 $582.71-$1,630.13$582.71$840.42$1,630.13
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95% <6 Days 89942-59-6 $450.80-$1,293.75$450.80$657.80$1,293.75
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