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3- (4-Chlorophenyl) -3-hydroxypropanoic acid

CAT: 0926-ABA20946-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ABA20946-01Size:50 mg
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CAS Number
25209-46-5
MDL Number
MFCD16304917
Smiles
C1=CC (=CC=C1C (CC (=O) O) O) Cl
Molecular Formula
C9H9ClO3
Molecular Weight
200.62 g/mol
Controlled
No

Chemical Information

3-(4-Chlorophenyl)-3-hydroxypropanoic acid
CAS Number25209-46-5
PubChem CID11390037
IUPAC Name3-(4-chlorophenyl)-3-hydroxypropanoic acid
Molecular FormulaC9H9ClO3
Molecular Weight200.62
XLogP1.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
C1=CC(=CC=C1C(CC(=O)O)O)Cl
InChI
InChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKey
NRRQHJBZRHOVAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)-3-hydroxypropanoic acid
CAS: 25209-46-5
CID: 11390037
Formula: C9H9ClO3
MW: 200.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.62
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass200.0240218
Monoisotopic Mass200.0240218
Topological Polar Surface Area57.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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