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141381-55-7 | Benzoic acid, 4-[3-oxo-3-(phenylamino)-1-propen-1-yl]-, methyl ester
CAS No: 141381-55-7 Catalog No: AG001GBP MDL No:
Product Description
Catalog Number:
AG001GBP
Chemical Name:
Benzoic acid, 4-[3-oxo-3-(phenylamino)-1-propen-1-yl]-, methyl ester
CAS Number:
141381-55-7
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
methyl 4-(3-anilino-3-oxoprop-1-enyl)benzoate
InChI:
InChI=1S/C17H15NO3/c1-21-17(20)14-10-7-13(8-11-14)9-12-16(19)18-15-5-3-2-4-6-15/h2-12H,1H3,(H,18,19)
InChI Key:
FUYINPCHSZVZMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=CC(=O)Nc1ccccc1
Properties
Complexity:
378
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:
3.5
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