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3-[(Cyanoacetyl)Amino]Benzoic Acid
[CAS# 178168-23-5]

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Identification
Name 3-[(Cyanoacetyl)Amino]Benzoic Acid
Synonyms 3-(2-Cyanoacetamido)benzoic acid
Molecular Structure CAS#: 178168-23-5, 3-[(Cyanoacetyl)Amino]Benzoic Acid
Molecular Formula C10H8N2O3
Molecular Weight 204.18
CAS Registry Number 178168-23-5
SMILES c1cc(cc(c1)NC(=O)CC#N)C(=O)O
InChI 1S/C10H8N2O3/c11-5-4-9(13)12-8-3-1-2-7(6-8)10(14)15/h1-3,6H,4H2,(H,12,13)(H,14,15)
InChIKey WWKXOBNWVCCMHY-UHFFFAOYSA-N
Properties
Density 1.409g/cm3 (Cal.)
Boiling point 536.263°C at 760 mmHg (Cal.)
Flash point 278.122°C (Cal.)
Refractive index 1.636 (Cal.)
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