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848890-43-7 | Butanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-2-methyl-
CAS No: 848890-43-7 Catalog No: AG004QEB MDL No:
Product Description
Catalog Number:
AG004QEB
Chemical Name:
Butanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-2-methyl-
CAS Number:
848890-43-7
Molecular Formula:
C11H13ClO4
Molecular Weight:
244.6715
IUPAC Name:
2-(4-chlorophenoxy)-3-hydroxy-2-methylbutanoic acid
InChI:
InChI=1S/C11H13ClO4/c1-7(13)11(2,10(14)15)16-9-5-3-8(12)4-6-9/h3-7,13H,1-2H3,(H,14,15)
InChI Key:
XUUMVVCMMYFGGD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OC(C(=O)O)(C(O)C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.671g/mol
Monoisotopic Mass:
244.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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