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3-[(2,2-Dimethylpropanoyl)Amino]Benzoic Acid
[CAS# 56619-96-6]

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Identification
Name 3-[(2,2-Dimethylpropanoyl)Amino]Benzoic Acid
Synonyms 3-(2,2-dimethylpropanoylamino)benzoic acid; 3-(2,2-Dimethylpropionylamino)benzoic acid; 3-(2,2-Dimethyl-propionylamino)-benzoic acid
Molecular Structure CAS#: 56619-96-6, 3-[(2,2-Dimethylpropanoyl)Amino]Benzoic Acid
Molecular Formula C12H15NO3
Molecular Weight 221.25
CAS Registry Number 56619-96-6
SMILES O=C(Nc1cc(ccc1)C(=O)O)C(C)(C)C
InChI 1S/C12H15NO3/c1-12(2,3)11(16)13-9-6-4-5-8(7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKey HGYDTYONFLKGIQ-UHFFFAOYSA-N
Properties
Density 1.198g/cm3 (Cal.)
Boiling point 437.293°C at 760 mmHg (Cal.)
Flash point 218.267°C (Cal.)
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