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3-[(5-nitropyridin-2-yl)carbamoyl]prop-2-enoic acid

3-[(5-nitropyridin-2-yl)carbamoyl]prop-2-enoic acid

Formula: C9H7N3O5

SMILES: OC(=O)C=CC(=O)NC1=NC=C(C=C1)[N+]([O-])=O

IUPAC: 3-[(5-nitropyridin-2-yl)carbamoyl]prop-2-enoic acid

InChI: InChI=1S/C9H7N3O5/c13-8(3-4-9(14)15)11-7-2-1-6(5-10-7)12(16)17/h1-5H,(H,14,15)(H,10,11,13)

Composition: C (45.58%), H (2.98%), N (17.72%), O (33.73%)

Molar Mass: 237.171

Atom Count: 24

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.038570337
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey QHJUXQQQLBCREG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.36
Topological Polar Surface Area 122.43
Polarizability 20.38
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C9H7N3O5 Quote Only