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3-(2-Hydroxyethyl)benzoic Acid

CAT: 0572-TRC-H941998-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H941998-500MGSize:500 mg
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CAS Number
320730-08-3
Synonyms
3-(2-Hydroxyethyl)benzoic Acid; Ketoprofen EP Impurity G
Hazard Statement
Harmful if swallowed
Smiles
OCCc1cccc(c1)C(=O)O
Molecular Formula
C9 H10 O3
Molecular Weight
166.17
InChI
InChI=1S/C9H10O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
Additionnal Information
IUPAC name: 3-(2-hydroxyethyl)benzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(2-Hydroxyethyl)benzoic acid
CAS Number320730-08-3
PubChem CID17843804
IUPAC Name3-(2-hydroxyethyl)benzoic acid
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
C1=CC(=CC(=C1)C(=O)O)CCO
InChI
InChI=1S/C9H10O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChIKey
SPXSLOBSNWHBEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Hydroxyethyl)benzoic acid
CAS: 320730-08-3
CID: 17843804
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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OR77750-013- (2-Hydroxyethyl) benzoic acid
4224873-​ (2-Hydroxyethyl) ​benzoic Acid
YLB23228-013-[ (2-Hydroxyethyl) amino]benzoic acid
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FH55443-014- (2-Hydroxyethyl) benzoic acid
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sc-3121213-[Bis (2-hydroxyethyl) amino]benzoic acid
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OR85861-012-[ (2-hydroxyethyl) amino]benzoic acid
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