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75814-56-1 | 2-Butenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (2E)-
CAS No: 75814-56-1 Catalog No: AG005ICG MDL No:
Product Description
Catalog Number:
AG005ICG
Chemical Name:
2-Butenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (2E)-
CAS Number:
75814-56-1
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
tert-butyl 3-phenylbut-2-enoate
InChI:
InChI=1S/C14H18O2/c1-11(12-8-6-5-7-9-12)10-13(15)16-14(2,3)4/h5-10H,1-4H3
InChI Key:
VFXVAMMAMBFTTB-UHFFFAOYSA-N
SMILES:
C/C(=C\C(=O)OC(C)(C)C)/c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Asymmetric conjugate reduction of alpha,beta-unsaturated ketones and esters with chiral rhodium(2,6-bisoxazolinylphenyl) catalysts. | Chemistry (Weinheim an der Bergstrasse, Germany) 20051216 |
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