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89711-07-9 | 2-Pentenoic acid, 4-(acetylamino)-5-phenyl-, methyl ester
CAS No: 89711-07-9 Catalog No: AG0043W4 MDL No:
Product Description
Catalog Number:
AG0043W4
Chemical Name:
2-Pentenoic acid, 4-(acetylamino)-5-phenyl-, methyl ester
CAS Number:
89711-07-9
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
methyl 4-acetamido-5-phenylpent-2-enoate
InChI:
InChI=1S/C14H17NO3/c1-11(16)15-13(8-9-14(17)18-2)10-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H,15,16)
InChI Key:
FKFNFAHAXJTCGN-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC(Cc1ccccc1)NC(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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