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89862-78-2 | 2-Pentenoic acid, 5-oxo-5-(phenylamino)-, ethyl ester, (E)-
CAS No: 89862-78-2 Catalog No: AG003XC2 MDL No:
Product Description
Catalog Number:
AG003XC2
Chemical Name:
2-Pentenoic acid, 5-oxo-5-(phenylamino)-, ethyl ester, (E)-
CAS Number:
89862-78-2
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
ethyl 5-anilino-5-oxopent-2-enoate
InChI:
InChI=1S/C13H15NO3/c1-2-17-13(16)10-6-9-12(15)14-11-7-4-3-5-8-11/h3-8,10H,2,9H2,1H3,(H,14,15)
InChI Key:
MEDNTQOUATYOLQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CC(=O)Nc1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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