3-METHYLHEXAHYDROPHTHALIC ANHYDRIDE

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NCATS

Details

Stereochemistry	EPIMERIC
Molecular Formula	C9H12O3
Molecular Weight	168.1898
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLHEXAHYDROPHTHALIC ANHYDRIDE

Structure Search

SMILES

[H][C@]12CCCC(C)[C@@]1([H])C(=O)OC2=O

InChI

InChIKey=QXBYUPMEYVDXIQ-BOJSHJERSA-N

InChI=1S/C9H12O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5?,6-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C9H12O3
Molecular Weight	168.1898
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:22:20 GMT 2023` Edited by `admin` on `Sat Dec 16 08:22:20 GMT 2023`
Record UNII	J47B2PM0R9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYLHEXAHYDROPHTHALIC ANHYDRIDE

Systematic Name

English

3-METHYL-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE

Systematic Name

English

1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE, 3-METHYL-

Systematic Name

English

1,3-ISOBENZOFURANDIONE, HEXAHYDRO-4-METHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

260-566-1

Created by admin on Sat Dec 16 08:22:20 GMT 2023 , Edited by admin on Sat Dec 16 08:22:20 GMT 2023

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EPA CompTox

DTXSID7029378

Created by admin on Sat Dec 16 08:22:20 GMT 2023 , Edited by admin on Sat Dec 16 08:22:20 GMT 2023

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FDA UNII

J47B2PM0R9

Created by admin on Sat Dec 16 08:22:20 GMT 2023 , Edited by admin on Sat Dec 16 08:22:20 GMT 2023

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CAS

57110-29-9

Created by admin on Sat Dec 16 08:22:20 GMT 2023 , Edited by admin on Sat Dec 16 08:22:20 GMT 2023

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PUBCHEM

118984417

Created by admin on Sat Dec 16 08:22:20 GMT 2023 , Edited by admin on Sat Dec 16 08:22:20 GMT 2023

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