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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O5
Molecular Weight 196.1568
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Carboxyvanillin

SMILES

COC1=CC(C=O)=CC(C(O)=O)=C1O

InChI

InChIKey=YFDQSVBNFNFXGF-UHFFFAOYSA-N
InChI=1S/C9H8O5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H8O5
Molecular Weight 196.1568
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 11:50:07 GMT 2023
Edited
by admin
on Sat Dec 16 11:50:07 GMT 2023
Record UNII
HAB6WAR3X5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Carboxyvanillin
Common Name English
5-formyl-2-hydroxy-3-methoxybenzoic acid
Systematic Name English
Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-
Systematic Name English
3-Carboxy-4-hydroxy-5-methoxybenzaldehyde
Systematic Name English
5-FORMYL-3-METHOXYSALICYLIC ACID
Systematic Name English
Isophthalaldehydic acid, 6-hydroxy-5-methoxy-
Systematic Name English
5-Formyl-o-vanillic acid
Common Name English
5-Carboxy-4-hydroxy-3-methoxybenzaldehyde
Systematic Name English
Code System Code Type Description
PUBCHEM
77044
Created by admin on Sat Dec 16 11:50:07 GMT 2023 , Edited by admin on Sat Dec 16 11:50:07 GMT 2023
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FDA UNII
HAB6WAR3X5
Created by admin on Sat Dec 16 11:50:07 GMT 2023 , Edited by admin on Sat Dec 16 11:50:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-504-1
Created by admin on Sat Dec 16 11:50:07 GMT 2023 , Edited by admin on Sat Dec 16 11:50:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID00188574
Created by admin on Sat Dec 16 11:50:07 GMT 2023 , Edited by admin on Sat Dec 16 11:50:07 GMT 2023
PRIMARY
CAS
3507-08-2
Created by admin on Sat Dec 16 11:50:07 GMT 2023 , Edited by admin on Sat Dec 16 11:50:07 GMT 2023
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