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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18
Molecular Weight 162.2713
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAN-3-YLBENZENE

SMILES

CCCC(CC)C1=CC=CC=C1

InChI

InChIKey=SLVCCWGFGQVDMN-UHFFFAOYSA-N
InChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18
Molecular Weight 162.2713
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:37:20 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:20 GMT 2023
Record UNII
KIQ0N3DUG5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAN-3-YLBENZENE
Systematic Name English
(1-ETHYLBUTYL)BENZENE
Systematic Name English
3-PHENYLHEXANE
Systematic Name English
1-(HEXAN-3-YL)BENZENE
Systematic Name English
BENZENE, (1-ETHYLBUTYL)-
Systematic Name English
Code System Code Type Description
CAS
4468-42-2
Created by admin on Sat Dec 16 09:37:20 GMT 2023 , Edited by admin on Sat Dec 16 09:37:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID4041492
Created by admin on Sat Dec 16 09:37:20 GMT 2023 , Edited by admin on Sat Dec 16 09:37:20 GMT 2023
PRIMARY
PUBCHEM
20546
Created by admin on Sat Dec 16 09:37:20 GMT 2023 , Edited by admin on Sat Dec 16 09:37:20 GMT 2023
PRIMARY
FDA UNII
KIQ0N3DUG5
Created by admin on Sat Dec 16 09:37:20 GMT 2023 , Edited by admin on Sat Dec 16 09:37:20 GMT 2023
PRIMARY