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101517-71-9 | 2-Butenoic acid, 2-methyl-4-oxo-4-phenyl-, ethyl ester, (2E)-
CAS No: 101517-71-9 Catalog No: AG0004OO MDL No:
Product Description
Catalog Number:
AG0004OO
Chemical Name:
2-Butenoic acid, 2-methyl-4-oxo-4-phenyl-, ethyl ester, (2E)-
CAS Number:
101517-71-9
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
ethyl 2-methyl-4-oxo-4-phenylbut-2-enoate
InChI:
InChI=1S/C13H14O3/c1-3-16-13(15)10(2)9-12(14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
OHSLONFQYOKGLX-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C(=O)c1ccccc1)/C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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