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Details

Stereochemistry RACEMIC
Molecular Formula C10H16O3
Molecular Weight 184.2322
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ISOPROPENYL-6-OXOHEPTANOIC ACID

SMILES

CC(=C)C(CCC(C)=O)CC(O)=O

InChI

InChIKey=NJOIWWRMLFSDTM-UHFFFAOYSA-N
InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H16O3
Molecular Weight 184.2322
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Metabolism of carveol and dihydrocarveol in Rhodococcus erythropolis DCL14.
2000 May
Purification and characterization of a Baeyer-Villiger mono-oxygenase from Rhodococcus erythropolis DCL14 involved in three different monocyclic monoterpene degradation pathways.
2000 May 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:06:49 GMT 2023
Edited
by admin
on Sat Dec 16 01:06:49 GMT 2023
Record UNII
1NC781145Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ISOPROPENYL-6-OXOHEPTANOIC ACID
Systematic Name English
FEMA NO. 4461
Code English
HEPTANOIC ACID, 3-ISOPROPENYL-6-OXO-
Common Name English
(±)-3-ISOPROPENYL-6-OXOHEPTANOIC ACID
Systematic Name English
HEPTANOIC ACID, 3-(1-METHYLETHENYL)-6-OXO-
Common Name English
3-ISOPROPENYL-6-OXOHEPTANOIC ACID, (±)-
Common Name English
Code System Code Type Description
JECFA MONOGRAPH
1932
Created by admin on Sat Dec 16 01:06:49 GMT 2023 , Edited by admin on Sat Dec 16 01:06:49 GMT 2023
PRIMARY
CAS
4436-82-2
Created by admin on Sat Dec 16 01:06:49 GMT 2023 , Edited by admin on Sat Dec 16 01:06:49 GMT 2023
PRIMARY
PUBCHEM
4488713
Created by admin on Sat Dec 16 01:06:49 GMT 2023 , Edited by admin on Sat Dec 16 01:06:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID00963207
Created by admin on Sat Dec 16 01:06:49 GMT 2023 , Edited by admin on Sat Dec 16 01:06:49 GMT 2023
PRIMARY
FDA UNII
1NC781145Q
Created by admin on Sat Dec 16 01:06:49 GMT 2023 , Edited by admin on Sat Dec 16 01:06:49 GMT 2023
PRIMARY