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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O4
Molecular Weight 196.1999
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Dimethoxymethyl)benzoic acid

SMILES

COC(OC)C1=CC(=CC=C1)C(O)=O

InChI

InChIKey=QDEZKSHTCXVADU-UHFFFAOYSA-N
InChI=1S/C10H12O4/c1-13-10(14-2)8-5-3-4-7(6-8)9(11)12/h3-6,10H,1-2H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H12O4
Molecular Weight 196.1999
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 20:24:07 GMT 2025
Edited
by admin
on Wed Apr 02 20:24:07 GMT 2025
Record UNII
X48QC53EA7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Dimethoxymethyl)benzoic acid
Systematic Name English
Benzoic acid, 3-(dimethoxymethyl)-
Preferred Name English
Code System Code Type Description
PUBCHEM
14835674
Created by admin on Wed Apr 02 20:24:07 GMT 2025 , Edited by admin on Wed Apr 02 20:24:07 GMT 2025
PRIMARY
CAS
417698-66-9
Created by admin on Wed Apr 02 20:24:07 GMT 2025 , Edited by admin on Wed Apr 02 20:24:07 GMT 2025
PRIMARY
FDA UNII
X48QC53EA7
Created by admin on Wed Apr 02 20:24:07 GMT 2025 , Edited by admin on Wed Apr 02 20:24:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID40564530
Created by admin on Wed Apr 02 20:24:07 GMT 2025 , Edited by admin on Wed Apr 02 20:24:07 GMT 2025
PRIMARY