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144759-78-4 | 3-Butenoic acid, 4-phenyl-, 1-methylethyl ester, (3E)-
CAS No: 144759-78-4 Catalog No: AG001K4C MDL No:
Product Description
Catalog Number:
AG001K4C
Chemical Name:
3-Butenoic acid, 4-phenyl-, 1-methylethyl ester, (3E)-
CAS Number:
144759-78-4
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
propan-2-yl 4-phenylbut-3-enoate
InChI:
InChI=1S/C13H16O2/c1-11(2)15-13(14)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3
InChI Key:
ICHATURYEKXYGJ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C/C=C/c1ccccc1)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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