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114377-77-4 | 2-Pentenoic acid, 2-methyl-5-phenyl-, ethyl ester, (2E)-
CAS No: 114377-77-4 Catalog No: AG000B6Q MDL No:
Product Description
Catalog Number:
AG000B6Q
Chemical Name:
2-Pentenoic acid, 2-methyl-5-phenyl-, ethyl ester, (2E)-
CAS Number:
114377-77-4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
ethyl 2-methyl-5-phenylpent-2-enoate
InChI:
InChI=1S/C14H18O2/c1-3-16-14(15)12(2)8-7-11-13-9-5-4-6-10-13/h4-6,8-10H,3,7,11H2,1-2H3
InChI Key:
YZHGFRNWBWXWKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/CCc1ccccc1)/C
Properties
Complexity:
237
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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