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89862-79-3 | 3-Pentenoic acid, 5-oxo-5-(phenylamino)-, methyl ester, (Z)-
CAS No: 89862-79-3 Catalog No: AG003X1M MDL No:
Product Description
Catalog Number:
AG003X1M
Chemical Name:
3-Pentenoic acid, 5-oxo-5-(phenylamino)-, methyl ester, (Z)-
CAS Number:
89862-79-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
methyl 5-anilino-5-oxopent-3-enoate
InChI:
InChI=1S/C12H13NO3/c1-16-12(15)9-5-8-11(14)13-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H,13,14)
InChI Key:
IGAMEKSXRDRFDZ-UHFFFAOYSA-N
SMILES:
COC(=O)C/C=C\C(=O)Nc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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