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102025-82-1 | 2-Propenoic acid, 2-(benzoylamino)-3-(phenylamino)-, methyl ester
CAS No: 102025-82-1 Catalog No: AG0006D1 MDL No:MFCD00172672
Product Description
Catalog Number:
AG0006D1
Chemical Name:
2-Propenoic acid, 2-(benzoylamino)-3-(phenylamino)-, methyl ester
CAS Number:
102025-82-1
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
MDL Number:
MFCD00172672
IUPAC Name:
methyl 3-anilino-2-benzamidoprop-2-enoate
InChI:
InChI=1S/C17H16N2O3/c1-22-17(21)15(12-18-14-10-6-3-7-11-14)19-16(20)13-8-4-2-5-9-13/h2-12,18H,1H3,(H,19,20)
InChI Key:
YNWILQLPXJKENH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CNc1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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