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Substance Name: (E)-p-Nitrocinnamic acid
RN: 882-06-4
InChIKey: XMMRNCHTDONGRJ-ZZXKWVIFSA-N

Molecular Formula

  • C9-H7-N-O4

Molecular Weight

  • 193.157
 
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Names and Synonyms

Synonym

  • EINECS 212-924-3

Systematic Name

  • (E)-p-Nitrocinnamic acid

Registry Numbers

CAS Registry Number

  • 882-06-4

System Generated Number

  • 0000882064

Structure Descriptors

InChI

1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+

InChIKey

XMMRNCHTDONGRJ-ZZXKWVIFSA-N

Smiles

c1cc([N+]([O-])=O)ccc1\C=C\C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.05 (none) 25 EXP
log P (octanol-water) 2.12 (none)   EXP
Water Solubility 742 mg/L 25 EST
Vapor Pressure 1.25E-05 mm Hg 25 EST
Henry's Law Constant 5.10E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.