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175667-40-0 | Benzenepropanoic acid, (3Z)-3-hexen-1-yl ester
CAS No: 175667-40-0 Catalog No: AG002131 MDL No:
Product Description
Catalog Number:
AG002131
Chemical Name:
Benzenepropanoic acid, (3Z)-3-hexen-1-yl ester
CAS Number:
175667-40-0
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
hex-3-enyl 3-phenylpropanoate
InChI:
InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-10H,2,8,11-13H2,1H3
InChI Key:
AIYOLSZNDXXKPH-UHFFFAOYSA-N
SMILES:
CC/C=C\CCOC(=O)CCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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