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88098-04-8 | 2-Butenoic acid, 4-oxo-4-phenyl-, 1,1-dimethylethyl ester, (E)-
CAS No: 88098-04-8 Catalog No: AG004G8D MDL No:
Product Description
Catalog Number:
AG004G8D
Chemical Name:
2-Butenoic acid, 4-oxo-4-phenyl-, 1,1-dimethylethyl ester, (E)-
CAS Number:
88098-04-8
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
tert-butyl 4-oxo-4-phenylbut-2-enoate
InChI:
InChI=1S/C14H16O3/c1-14(2,3)17-13(16)10-9-12(15)11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key:
CASHMVYHMILDBE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/C(=O)OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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