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3- (4-chlorophenyl) -4-hydroxybutanoic acid

CAT: 1596-AR-B01008-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01008-01Size:10 Units
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CAS Number
52977-95-4
Synonyms
3- (4-chlorophenyl) -4-hydroxybutanoic acid; beta- (p-chlorophenyl) -gamma-hydroxybutyric acid; Benzenepropanoic acid,4-chloro-|A- (hydroxymethyl) -;3- (4-chlorophenyl) -4-hydroxybutanoic acid;4-Chloro-beta- (hydroxymethyl) benzenepropanoic acid; Benzenepropanoic acid, 4-chloro-beta- (hydroxymethyl) -
Molecular Formula
C10H11ClO3
Molecular Weight
214.65
API Name
Baclofen

Chemical Information

4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid
CAS Number52977-95-4
PubChem CID6452751
IUPAC Name3-(4-chlorophenyl)-4-hydroxybutanoic acid
Molecular FormulaC10H11ClO3
Molecular Weight214.64
XLogP1.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
C1=CC(=CC=C1C(CC(=O)O)CO)Cl
InChI
InChI=1S/C10H11ClO3/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKey
RTLXZWYTMZVUIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid
CAS: 52977-95-4
CID: 6452751
Formula: C10H11ClO3
MW: 214.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.64
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass214.0396719
Monoisotopic Mass214.0396719
Topological Polar Surface Area57.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
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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Alternative Products

CatalogName
OR304024,4,4-trichloro-3-hydroxybutanoic acid
EKB09039-014,4,4-Trifluoro-2-hydroxybutanoic acid
PDA22421-014- (4-tert-Butylphenyl) -4-hydroxybutanoic acid
TRC-A611270-10G4-Amino-3-Hydroxybutanoic Acid
OR1067374-014-Amino-2-hydroxybutanoic acid
TRC-D462025-250MG4-(Dimethylamino)-3-hydroxybutanoic Acid
OR10461613-Amino-4-hydroxybutanoic acid
OR480476-012-Amino-4-hydroxybutanoic acid
OR280384- (Dimethylamino) -3-hydroxybutanoic acid
RG-H010200-014-Hydroxybutanoic acid (controlled substance)

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