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1-Butylnaphthalene

CAT: 0127-OR1046427-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1046427-01Size:100 mg
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CAS Number
1634-09-9
MDL Number
MFCD00959399
Purity
95%
Smiles
CCCCC1=C2C=CC=CC2=CC=C1

Chemical Information

1-Butylnaphthalene

See also: 1-Butylnaphtalene (annotation moved to).

CAS Number1634-09-9
PubChem CID15414
IUPAC Name1-butylnaphthalene
Molecular FormulaC14H16
Molecular Weight184.28
XLogP5.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
CCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8-11H,2-3,7H2,1H3
InChIKey
URGSMJLDEFDWNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Butylnaphthalene
CAS: 1634-09-9
CID: 15414
Formula: C14H16
MW: 184.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.28
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass184.125200510
Monoisotopic Mass184.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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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