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1,3,5-Trihexylbenzene

CAT: 0572-TRC-T794700-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T794700-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29536-28-5
Hazard Statement
No Data Available
Smiles
CCCCCCc1cc(CCCCCC)cc(CCCCCC)c1
Molecular Formula
C24 H42
Molecular Weight
330.59
InChI
InChI=1S/C24H42/c1-4-7-10-13-16-22-19-23(17-14-11-8-5-2)21-24(20-22)18-15-12-9-6-3/h19-21H,4-18H2,1-3H3
Additionnal Information
IUPAC name: 1,3,5-trihexylbenzene
Shipping Conditions
Room Temperature

Chemical Information

1,3,5-Trihexylbenzene
CAS Number29536-28-5
PubChem CID12567242
IUPAC Name1,3,5-trihexylbenzene
Molecular FormulaC24H42
Molecular Weight330.6
XLogP10.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity202
SMILES
CCCCCCC1=CC(=CC(=C1)CCCCCC)CCCCCC
InChI
InChI=1S/C24H42/c1-4-7-10-13-16-22-19-23(17-14-11-8-5-2)21-24(20-22)18-15-12-9-6-3/h19-21H,4-18H2,1-3H3
InChIKey
CRWVKALWUJVONG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5-Trihexylbenzene
CAS: 29536-28-5
CID: 12567242
Formula: C24H42
MW: 330.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.6
XLogP310.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Exact Mass330.328651340
Monoisotopic Mass330.328651340
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity202
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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CatalogName
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