VALONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14O3
Molecular Weight	230.2592
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VALONE

Structure Search

SMILES

CC(C)CC(=O)C1C(=O)C2=C(C=CC=C2)C1=O

InChI

InChIKey=PVWMAOPFDINGAY-UHFFFAOYSA-N

InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H14O3
Molecular Weight	230.2592
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:36:52 GMT 2023` Edited by `admin` on `Fri Dec 15 18:36:52 GMT 2023`
Record UNII	2V8VCY004E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VALONE

Common Name

English

VALONE [HSDB]

Common Name

English

2-ISOVALERYL-1,3-INDANEDIONE

Systematic Name

English

2-ISOVALERYL-1,3-INDANDIONE

Systematic Name

English

2-(3-METHYL-1-OXOBUTYL)-1H-INDENE-1,3(2H)-DIONE

Systematic Name

English

2-ISOVALERYLINDANE-1,3-DIONE [MI]

Common Name

English

NSC-404427

Code

English

Classification Tree Code System Code

EPA PESTICIDE CODE

67702

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

Code System Code Type Description

MERCK INDEX

m6549

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

PRIMARY

Merck Index

CAS

145470-90-2

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

ALTERNATIVE

EPA CompTox

DTXSID8042509

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

PRIMARY

CAS

83-28-3

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

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FDA UNII

2V8VCY004E

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

PRIMARY

MESH

C540723

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

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PUBCHEM

6733

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

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HSDB

7118

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

PRIMARY

NSC

404427

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

PRIMARY

ALANWOOD

valone

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

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ECHA (EC/EINECS)

201-464-9

Created by admin on Fri Dec 15 18:36:52 GMT 2023 , Edited by admin on Fri Dec 15 18:36:52 GMT 2023

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