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132600-13-6 | Benzoic acid, 2-[(3-oxo-1-cyclohexen-1-yl)amino]-
CAS No: 132600-13-6 Catalog No: AG0010V6 MDL No:MFCD00129280
Product Description
Catalog Number:
AG0010V6
Chemical Name:
Benzoic acid, 2-[(3-oxo-1-cyclohexen-1-yl)amino]-
CAS Number:
132600-13-6
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00129280
IUPAC Name:
2-[(3-oxocyclohexen-1-yl)amino]benzoic acid
InChI:
InChI=1S/C13H13NO3/c15-10-5-3-4-9(8-10)14-12-7-2-1-6-11(12)13(16)17/h1-2,6-8,14H,3-5H2,(H,16,17)
InChI Key:
YFMAYMKMNUQNBC-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)Nc1ccccc1C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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