[2,2-Bis(hydroxymethyl)butyl] hydrogen adipate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O6
Molecular Weight	262.2995
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [2,2-Bis(hydroxymethyl)butyl] hydrogen adipate

Structure Search

SMILES

CCC(CO)(CO)COC(=O)CCCCC(O)=O

InChI

InChIKey=VQYGZOOQRFNLFW-UHFFFAOYSA-N

InChI=1S/C12H22O6/c1-2-12(7-13,8-14)9-18-11(17)6-4-3-5-10(15)16/h13-14H,2-9H2,1H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H22O6
Molecular Weight	262.2995
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 `Tue Apr 01 17:46:45 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:45 GMT 2025`
Record UNII	3GP6NMG88J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hexanedioic acid, 1-[2,2-bis(hydroxymethyl)butyl] ester

Preferred Name

English

[2,2-Bis(hydroxymethyl)butyl] hydrogen adipate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70174565

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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PUBCHEM

88594

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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FDA UNII

3GP6NMG88J

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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CAS

20563-11-5

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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ECHA (EC/EINECS)

243-881-9

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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