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712274-46-9 | Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester
CAS No: 712274-46-9 Catalog No: AG005K20 MDL No:
Product Description
Catalog Number:
AG005K20
Chemical Name:
Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester
CAS Number:
712274-46-9
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
methyl 2-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
InChI:
InChI=1S/C17H15NO3/c1-21-17(20)14-9-5-6-10-15(14)18-12-11-16(19)13-7-3-2-4-8-13/h2-12,18H,1H3
InChI Key:
SBESDARNKAXZFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1N/C=C\C(=O)c1ccccc1
Properties
Complexity:
386
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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