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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O4
Molecular Weight 210.2265
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Diethoxybenzoic acid

SMILES

CCOC1=C(OCC)C=C(C=C1)C(O)=O

InChI

InChIKey=VVKCVAPLTRZJHH-UHFFFAOYSA-N
InChI=1S/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H14O4
Molecular Weight 210.2265
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 11:53:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:41 GMT 2023
Record UNII
PQX585EH7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-Diethoxybenzoic acid
Systematic Name English
NSC-8515
Code English
Benzoic acid, 3,4-diethoxy-
Systematic Name English
NSC-10903
Code English
Code System Code Type Description
PUBCHEM
79417
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY
CAS
5409-31-4
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-478-2
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY
NSC
8515
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY
NSC
10903
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY
FDA UNII
PQX585EH7W
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID70202418
Created by admin on Sat Dec 16 11:53:41 GMT 2023 , Edited by admin on Sat Dec 16 11:53:41 GMT 2023
PRIMARY