(2E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid

HCID 736686

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Basic information

CAS: 58110-35-3
Standard SMILES: O=C(O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey: XTMFADOEDNSWOV-FNORWQNLSA-N
Molecular formula: C13H9NO5
Average molar mass: 259.21 g/mol
Monoisotopic mass: 259.04807239

Names & identifiers

Preferred name: (2E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid
IUPAC: (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid

Names & synonyms

765937-81-3(2E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid3-(5-(3-Nitrophenyl)furan-2-yl)acrylic acid(E)-3-(5-(3-nitrophenyl)furan-2-yl)acrylic acid3-[5-(3-nitro-phenyl)furan-2-yl]acrylic acid(E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid3-[5-(3-Nitro-phenyl)-furan-2-yl]-acrylic acid(2E)-3-[5-(3-nitrophenyl)(2-furyl)]prop-2-enoic acidMFCD006959433-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid3-[5-(3-nitrophenyl)-2-furyl]acrylic acid3-(5-(3-NITRO-PHENYL)-FURAN-2-YL)-ACRYLIC ACID

Show more names

BBL010008SBB007011STK711113AKOS000109218VS-02280CS-0322477ST451852173-(5-(3-Nitrophenyl)furan-2-yl)acrylicacid

Database identifiers

CAS: 58110-35-3
PubChem CID: 736686
EC Number: 167-653-2

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 376

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