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Details

Stereochemistry MIXED
Molecular Formula C9H18O3
Molecular Weight 174.2374
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYL-2-HYDROXYHEPTANOIC ACID

SMILES

CCCCC(CC)C(O)C(O)=O

InChI

InChIKey=DJDGGSPGQFGVMX-UHFFFAOYSA-N
InChI=1S/C9H18O3/c1-3-5-6-7(4-2)8(10)9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H18O3
Molecular Weight 174.2374
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:37:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:18 GMT 2023
Record UNII
E807394JWO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYL-2-HYDROXYHEPTANOIC ACID
Systematic Name English
HEPTANOIC ACID, 3-ETHYL-2-HYDROXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80980437
Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023
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CAS
63834-30-0
Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023
PRIMARY
PUBCHEM
44788
Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023
PRIMARY
FDA UNII
E807394JWO
Created by admin on Sat Dec 16 09:37:18 GMT 2023 , Edited by admin on Sat Dec 16 09:37:18 GMT 2023
PRIMARY