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88488-46-4 | Butanoic acid, 4-chloro-3-oxo-, 2-methylphenyl ester
CAS No: 88488-46-4 Catalog No: AG0049HG MDL No:
Product Description
Catalog Number:
AG0049HG
Chemical Name:
Butanoic acid, 4-chloro-3-oxo-, 2-methylphenyl ester
CAS Number:
88488-46-4
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
(2-methylphenyl) 4-chloro-3-oxobutanoate
InChI:
InChI=1S/C11H11ClO3/c1-8-4-2-3-5-10(8)15-11(14)6-9(13)7-12/h2-5H,6-7H2,1H3
InChI Key:
OBLZLJRSMRIDIE-UHFFFAOYSA-N
SMILES:
ClCC(=O)CC(=O)Oc1ccccc1C
Properties
Complexity:
240
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:
2.1
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