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15572-01-7 | Benzenebutanoic acid, 4-chloro-2-hydroxy-γ-oxo-
CAS No: 15572-01-7 Catalog No: AG001O4S MDL No:
Product Description
Catalog Number:
AG001O4S
Chemical Name:
Benzenebutanoic acid, 4-chloro-2-hydroxy-γ-oxo-
CAS Number:
15572-01-7
Molecular Formula:
C10H9ClO4
Molecular Weight:
228.6291
IUPAC Name:
4-(4-chloro-2-hydroxyphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9ClO4/c11-6-1-2-7(9(13)5-6)8(12)3-4-10(14)15/h1-2,5,13H,3-4H2,(H,14,15)
InChI Key:
XMKSYNSQMKQFSE-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc(cc1O)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.628g/mol
Monoisotopic Mass:
228.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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