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189890-32-2 | 2-Pentenoic acid, 3-ethyl-5-phenyl-, methyl ester, (2Z)-
CAS No: 189890-32-2 Catalog No: AG002E3X MDL No:
Product Description
Catalog Number:
AG002E3X
Chemical Name:
2-Pentenoic acid, 3-ethyl-5-phenyl-, methyl ester, (2Z)-
CAS Number:
189890-32-2
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
methyl 3-ethyl-5-phenylpent-2-enoate
InChI:
InChI=1S/C14H18O2/c1-3-12(11-14(15)16-2)9-10-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3
InChI Key:
DEGMLTXEWVNNLQ-UHFFFAOYSA-N
SMILES:
CC/C(=C/C(=O)OC)/CCc1ccccc1
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:
3.8
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