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α -Hydroxycarprofen

CAT: 1596-AR-C06370-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06370-01Size:10 Units
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CAS Number
70359-62-5
Molecular Formula
C15H12ClNO3
Molecular Weight
289.72
API Name
Carprofen

Chemical Information

alpha-Hydroxycarprofen
CAS Number70359-62-5
PubChem CID23310902
IUPAC Name2-(6-chloro-9H-carbazol-2-yl)-2-hydroxypropanoic acid
Molecular FormulaC15H12ClNO3
Molecular Weight289.71
XLogP3.1
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity405
SMILES
CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)(C(=O)O)O
InChI
InChI=1S/C15H12ClNO3/c1-15(20,14(18)19)8-2-4-10-11-7-9(16)3-5-12(11)17-13(10)6-8/h2-7,17,20H,1H3,(H,18,19)
InChIKey
SDSSKDHMEVUOPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Hydroxycarprofen
CAS: 70359-62-5
CID: 23310902
Formula: C15H12ClNO3
MW: 289.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.71
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass289.0505709
Monoisotopic Mass289.0505709
Topological Polar Surface Area73.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity405
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