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2881-63-2 | Benzenepropanoic acid, 4-chloro-β-oxo-, ethyl ester
CAS No: 2881-63-2 Catalog No: AG002WLI MDL No:MFCD00018713
Product Description
Catalog Number:
AG002WLI
Chemical Name:
Benzenepropanoic acid, 4-chloro-β-oxo-, ethyl ester
CAS Number:
2881-63-2
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
MDL Number:
MFCD00018713
IUPAC Name:
ethyl 3-(4-chlorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChI Key:
DGCZHKABHPDNCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)Cl
NSC Number:
406743
Properties
Complexity:
232
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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