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20375-16-0 | Benzenepropanoic acid, β-chloro-α-oxo-, ethyl ester
CAS No: 20375-16-0 Catalog No: AG00293V MDL No:
Product Description
Catalog Number:
AG00293V
Chemical Name:
Benzenepropanoic acid, β-chloro-α-oxo-, ethyl ester
CAS Number:
20375-16-0
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
ethyl 3-chloro-2-oxo-3-phenylpropanoate
InChI:
InChI=1S/C11H11ClO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
RPGYXWCOHHXPPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(c1ccccc1)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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