FFC / Alfa Chemistry
3-Nitrocinnamic acid
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3-Nitrocinnamic acid

CAS 555-68-0
Structure
Synonyms 3-(3-Nitrophenyl)-2-propenoicacid
IUPAC Name (E)-3-(3-Nitrophenyl)prop-2-enoic acid
Molecular Weight 193.16
Canonical SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O
InChI InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChI Key WWXMVRYHLZMQIG-SNAWJCMRSA-N
Boiling Point 329.36 °C
Melting Point 200-202 °C
Purity 95%+
Density 1.4058 g/cm³
Exact Mass 193.0375077
Isomeric SMILES C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Monoisotopic Mass 193.0375077
Odor Odorless
Physical State Powder
Refractive Index n20/D 1.520(lit.)
Storage Conditions Dry place,Room Temperature
Topological Polar Surface Area 83.1 Ų

For Research Use Only. Not for use in diagnostic or therapeutic procedures.