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86162-55-2 | 2-Butenoic acid, 4-[(2-acetylphenyl)amino]-4-oxo-, (Z)-
CAS No: 86162-55-2 Catalog No: AG004OLE MDL No:MFCD06662459
Product Description
Catalog Number:
AG004OLE
Chemical Name:
2-Butenoic acid, 4-[(2-acetylphenyl)amino]-4-oxo-, (Z)-
CAS Number:
86162-55-2
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD06662459
IUPAC Name:
4-(2-acetylanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C12H11NO4/c1-8(14)9-4-2-3-5-10(9)13-11(15)6-7-12(16)17/h2-7H,1H3,(H,13,15)(H,16,17)
InChI Key:
SXYNMBWDMPJRKN-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)Nc1ccccc1C(=O)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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