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100956-22-7 | 3-Pentenoic acid, 2-(1-aminoethylidene)-5-oxo-5-phenyl-, ethyl ester
CAS No: 100956-22-7 Catalog No: AG0003AU MDL No:
Product Description
Catalog Number:
AG0003AU
Chemical Name:
3-Pentenoic acid, 2-(1-aminoethylidene)-5-oxo-5-phenyl-, ethyl ester
CAS Number:
100956-22-7
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
ethyl 2-(1-aminoethylidene)-5-oxo-5-phenylpent-3-enoate
InChI:
InChI=1S/C15H17NO3/c1-3-19-15(18)13(11(2)16)9-10-14(17)12-7-5-4-6-8-12/h4-10H,3,16H2,1-2H3
InChI Key:
CFFPPNXMSWBXEI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(N)C)C=CC(=O)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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