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136744-88-2 | 2-Propenoic acid, 3-(acetylamino)-3-phenyl-, methyl ester, (2E)-
CAS No: 136744-88-2 Catalog No: AG0012AM MDL No:
Product Description
Catalog Number:
AG0012AM
Chemical Name:
2-Propenoic acid, 3-(acetylamino)-3-phenyl-, methyl ester, (2E)-
CAS Number:
136744-88-2
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
methyl 3-acetamido-3-phenylprop-2-enoate
InChI:
InChI=1S/C12H13NO3/c1-9(14)13-11(8-12(15)16-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14)
InChI Key:
MHZDCUVUBSLVDC-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(\c1ccccc1)/NC(=O)C
Properties
Complexity:
291
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:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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