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845646-30-2 | 3-Hexenoic acid, 5-phenyl-, ethyl ester, (3Z)-
CAS No: 845646-30-2 Catalog No: AG004R0P MDL No:
Product Description
Catalog Number:
AG004R0P
Chemical Name:
3-Hexenoic acid, 5-phenyl-, ethyl ester, (3Z)-
CAS Number:
845646-30-2
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
ethyl 5-phenylhex-3-enoate
InChI:
InChI=1S/C14H18O2/c1-3-16-14(15)11-7-8-12(2)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3
InChI Key:
SNDWCNHWHUUVJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C=C\C(c1ccccc1)C
Properties
Complexity:
227
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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