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2-Naphthalen-2-yl-propionic Acid

CAT: 0572-TRC-N926248-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N926248-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13350-60-2
Hazard Statement
No Data Available
Smiles
CC(C(=O)O)c1ccc2ccccc2c1
Molecular Formula
C13 H12 O2
Molecular Weight
200.233
InChI
InChI=1S/C13H12O2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3,(H,14,15)
Additionnal Information
IUPAC name: 2-naphthalen-2-ylpropanoic acid
Shipping Conditions
Room Temperature

Chemical Information

2-(Naphthalen-2-yl)propanoic acid
CAS Number13350-60-2
PubChem CID13147846
IUPAC Name2-naphthalen-2-ylpropanoic acid
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
CC(C1=CC2=CC=CC=C2C=C1)C(=O)O
InChI
InChI=1S/C13H12O2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3,(H,14,15)
InChIKey
DKVIPUUJSKIQFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Naphthalen-2-yl)propanoic acid
CAS: 13350-60-2
CID: 13147846
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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