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27573-05-3 | 2-Propenoic acid, 2-(benzoylamino)-3-phenyl-, methyl ester
CAS No: 27573-05-3 Catalog No: AG002U3G MDL No:
Product Description
Catalog Number:
AG002U3G
Chemical Name:
2-Propenoic acid, 2-(benzoylamino)-3-phenyl-, methyl ester
CAS Number:
27573-05-3
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
methyl 2-benzamido-3-phenylprop-2-enoate
InChI:
InChI=1S/C17H15NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-12H,1H3,(H,18,19)
InChI Key:
RRFMDFQWIJAZQI-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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