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1192136-17-6 | Benzenepropanoic acid, 3-chloro-4-methoxy-β-oxo-, ethyl ester
CAS No: 1192136-17-6 Catalog No: AG000IDM MDL No:
Product Description
Catalog Number:
AG000IDM
Chemical Name:
Benzenepropanoic acid, 3-chloro-4-methoxy-β-oxo-, ethyl ester
CAS Number:
1192136-17-6
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
IUPAC Name:
ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H13ClO4/c1-3-17-12(15)7-10(14)8-4-5-11(16-2)9(13)6-8/h4-6H,3,7H2,1-2H3
InChI Key:
AFDHPHZKKJYLPL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(c(c1)Cl)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.682g/mol
Monoisotopic Mass:
256.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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