3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonanoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H28O5
Molecular Weight	276.3691
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonanoate

Structure Search

SMILES

CCCCCCCCC(=O)OCC(CO)(CO)CO

InChI

InChIKey=URGQBRTWLCYCMR-UHFFFAOYSA-N

InChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-13(18)19-12-14(9-15,10-16)11-17/h15-17H,2-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H28O5
Molecular Weight	276.3691
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 `Sat Dec 16 12:02:47 GMT 2023` Edited by `admin` on `Sat Dec 16 12:02:47 GMT 2023`
Record UNII	XC4ZP2C48R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonanoate

Systematic Name

English

3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonan-1-oate

Systematic Name

English

Nonanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

Systematic Name

English

Code System Code Type Description

CAS

94108-24-4

Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023

PRIMARY

PUBCHEM

14251992

Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023

PRIMARY

FDA UNII

XC4ZP2C48R

Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023

PRIMARY

ECHA (EC/EINECS)

302-363-3

Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID70240572

Created by admin on Sat Dec 16 12:02:47 GMT 2023 , Edited by admin on Sat Dec 16 12:02:47 GMT 2023

PRIMARY