7-METHYLOCTANOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18O2
Molecular Weight	158.238
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-METHYLOCTANOIC ACID

Structure Search

SMILES

CC(C)CCCCCC(O)=O

InChI

InChIKey=XZOYHFBNQHPJRQ-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H18O2
Molecular Weight	158.238
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:31:29 GMT 2023` Edited by `admin` on `Fri Dec 15 18:31:29 GMT 2023`
Record UNII	M3MIU88L6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-METHYLOCTANOIC ACID

Common Name

English

OCTANOIC ACID, 7-METHYL-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10883129

Created by admin on Fri Dec 15 18:31:29 GMT 2023 , Edited by admin on Fri Dec 15 18:31:29 GMT 2023

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FDA UNII

M3MIU88L6U

Created by admin on Fri Dec 15 18:31:29 GMT 2023 , Edited by admin on Fri Dec 15 18:31:29 GMT 2023

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CAS

693-19-6

Created by admin on Fri Dec 15 18:31:29 GMT 2023 , Edited by admin on Fri Dec 15 18:31:29 GMT 2023

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PUBCHEM

33635

Created by admin on Fri Dec 15 18:31:29 GMT 2023 , Edited by admin on Fri Dec 15 18:31:29 GMT 2023

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CHEBI

37108

Created by admin on Fri Dec 15 18:31:29 GMT 2023 , Edited by admin on Fri Dec 15 18:31:29 GMT 2023

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