3-METHYL-2,4-HEXANEDIONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H12O2
Molecular Weight	128.169
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYL-2,4-HEXANEDIONE

Structure Search

SMILES

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

InChI

InChIKey=CAVUEALRYKNYRW-UHFFFAOYSA-N

InChI=1S/C7H12O2/c1-4-7(9)5(2)6(3)8/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H12O2
Molecular Weight	128.169
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 08:38:44 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:44 GMT 2023`
Record UNII	V8W51CS37J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYL-2,4-HEXANEDIONE

Systematic Name

English

3-METHYL-2,4-HEXANEDIONE, (±)-

Systematic Name

English

2,4-HEXANEDIONE, 3-METHYL-

Systematic Name

English

Code System Code Type Description

CAS

4220-52-4

Created by admin on Sat Dec 16 08:38:44 GMT 2023 , Edited by admin on Sat Dec 16 08:38:44 GMT 2023

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PUBCHEM

538672

Created by admin on Sat Dec 16 08:38:44 GMT 2023 , Edited by admin on Sat Dec 16 08:38:44 GMT 2023

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FDA UNII

V8W51CS37J

Created by admin on Sat Dec 16 08:38:44 GMT 2023 , Edited by admin on Sat Dec 16 08:38:44 GMT 2023

PRIMARY

CAS

1824854-61-6

Created by admin on Sat Dec 16 08:38:44 GMT 2023 , Edited by admin on Sat Dec 16 08:38:44 GMT 2023

ALTERNATIVE

EPA CompTox

DTXSID4021630

Created by admin on Sat Dec 16 08:38:44 GMT 2023 , Edited by admin on Sat Dec 16 08:38:44 GMT 2023

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