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3-(methoxycarbonyl)pyridine-4-carboxylic acid

3-(methoxycarbonyl)pyridine-4-carboxylic acid

CAS: 24202-79-7

Formula: C8H7NO4

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

IUPAC: 3-(methoxycarbonyl)pyridine-4-carboxylic acid

InChI: InChI=1S/C8H7NO4/c1-13-8(12)6-4-9-3-2-5(6)7(10)11/h2-4H,1H3,(H,10,11)

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.037507709
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GTCDOGAERTYZBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.18
Topological Polar Surface Area 76.49
Polarizability 16.31
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 24202-79-7 $94.58-$1,307.66$94.58$157.63$382.08$1,307.66
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