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15814-45-6 | Benzenepropanoic acid, 2-propen-1-yl ester
CAS No: 15814-45-6 Catalog No: AG001Q08 MDL No:
Product Description
Catalog Number:
AG001Q08
Chemical Name:
Benzenepropanoic acid, 2-propen-1-yl ester
CAS Number:
15814-45-6
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
prop-2-enyl 3-phenylpropanoate
InChI:
InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChI Key:
XZZUAUYBSOXKLR-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)CCc1ccccc1
EC Number:
239-913-6
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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