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UBP684

CAT: 0013-GTR19200401-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200401-02Size:50 mg
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Description
UBP684
CAS Number
1357838-47-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCC (C) C) C1=CC2=C (C=C (C (O) =O) C=C2) C=C1
Molecular Formula
C17H20O2
Molecular Weight
256.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(4-Methylpentyl)-2-naphthalenecarboxylic acid
CAS Number1357838-47-1
PubChem CID56654447
IUPAC Name6-(4-methylpentyl)naphthalene-2-carboxylic acid
Molecular FormulaC17H20O2
Molecular Weight256.34
XLogP5.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity298
SMILES
CC(C)CCCC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C17H20O2/c1-12(2)4-3-5-13-6-7-15-11-16(17(18)19)9-8-14(15)10-13/h6-12H,3-5H2,1-2H3,(H,18,19)
InChIKey
ZQLORCYRMVILSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Methylpentyl)-2-naphthalenecarboxylic acid
CAS: 1357838-47-1
CID: 56654447
Formula: C17H20O2
MW: 256.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.34
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass256.146329876
Monoisotopic Mass256.146329876
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity298
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

Alternative Products

CatalogName
T24917-01UBP684