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2-(2-Nitroethyl)Benzoic Acid
[CAS# 115912-92-0]

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Identification
Name 2-(2-Nitroethyl)Benzoic Acid
Synonyms 1-(2-Carboxyphenyl)-2-nitroethane; 2-(2-Nitroethyl)benzoic acid
Molecular Structure CAS#: 115912-92-0, 2-(2-Nitroethyl)Benzoic Acid
Molecular Formula C9H9NO4
Molecular Weight 195.17
CAS Registry Number 115912-92-0
SMILES c1ccc(c(c1)CC[N+](=O)[O-])C(=O)O
InChI 1S/C9H9NO4/c11-9(12)8-4-2-1-3-7(8)5-6-10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey YDKWDBCIPCCQBA-UHFFFAOYSA-N
Properties
Density 1.323g/cm3 (Cal.)
Boiling point 383.897°C at 760 mmHg (Cal.)
Flash point 171.029°C (Cal.)
Refractive index 1.575 (Cal.)
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