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Details

Stereochemistry RACEMIC
Molecular Formula C8H18
Molecular Weight 114.2285
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLHEPTANE

SMILES

CCCCC(C)CC

InChI

InChIKey=LAIUFBWHERIJIH-UHFFFAOYSA-N
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H18
Molecular Weight 114.2285
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 19:03:34 GMT 2023
Edited
by admin
on Sat Dec 16 19:03:34 GMT 2023
Record UNII
Z4R1WI6C0R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLHEPTANE
Systematic Name English
NSC-24845
Code English
HEPTANE, 3-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
11519
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
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ECHA (EC/EINECS)
209-660-6
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
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FDA UNII
Z4R1WI6C0R
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
PRIMARY
NSC
24845
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
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EPA CompTox
DTXSID90862250
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
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CAS
589-81-1
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
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WIKIPEDIA
3-Methylheptane
Created by admin on Sat Dec 16 19:03:34 GMT 2023 , Edited by admin on Sat Dec 16 19:03:34 GMT 2023
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