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15796-65-3 | Benzenepropanoic acid, β-oxo-, 2-propen-1-yl ester
CAS No: 15796-65-3 Catalog No: AG001PVJ MDL No:
Product Description
Catalog Number:
AG001PVJ
Chemical Name:
Benzenepropanoic acid, β-oxo-, 2-propen-1-yl ester
CAS Number:
15796-65-3
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
prop-2-enyl 3-oxo-3-phenylpropanoate
InChI:
InChI=1S/C12H12O3/c1-2-8-15-12(14)9-11(13)10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChI Key:
UDLGHAZAGPRBHU-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)CC(=O)c1ccccc1
NSC Number:
128180
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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