U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9ClO3
Molecular Weight 188.608
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-2,6-BIS(HYDROXYMETHYL)PHENOL

SMILES

OCC1=CC(Cl)=CC(CO)=C1O

InChI

InChIKey=OGMITUYZIACKHB-UHFFFAOYSA-N
InChI=1S/C8H9ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2

HIDE SMILES / InChI

Molecular Formula C8H9ClO3
Molecular Weight 188.608
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 Wed Apr 02 04:25:08 GMT 2025
Edited
by admin
on Wed Apr 02 04:25:08 GMT 2025
Record UNII
960CWM3IE8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-35257
Preferred Name English
4-CHLORO-2,6-BIS(HYDROXYMETHYL)PHENOL
Systematic Name English
1,3-BENZENEDIMETHANOL, 5-CHLORO-2-HYDROXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2066149
Created by admin on Wed Apr 02 04:25:08 GMT 2025 , Edited by admin on Wed Apr 02 04:25:08 GMT 2025
PRIMARY
NSC
35257
Created by admin on Wed Apr 02 04:25:08 GMT 2025 , Edited by admin on Wed Apr 02 04:25:08 GMT 2025
PRIMARY
CAS
17026-49-2
Created by admin on Wed Apr 02 04:25:08 GMT 2025 , Edited by admin on Wed Apr 02 04:25:08 GMT 2025
PRIMARY
PUBCHEM
86914
Created by admin on Wed Apr 02 04:25:08 GMT 2025 , Edited by admin on Wed Apr 02 04:25:08 GMT 2025
PRIMARY
FDA UNII
960CWM3IE8
Created by admin on Wed Apr 02 04:25:08 GMT 2025 , Edited by admin on Wed Apr 02 04:25:08 GMT 2025
PRIMARY
ECHA (EC/EINECS)
241-099-2
Created by admin on Wed Apr 02 04:25:08 GMT 2025 , Edited by admin on Wed Apr 02 04:25:08 GMT 2025
PRIMARY