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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4N2O2
Molecular Weight 112.0868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CARBOXYPYRAZOLE

SMILES

OC(=O)C1=CNN=C1

InChI

InChIKey=IMBBXSASDSZJSX-UHFFFAOYSA-N
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula C4H4N2O2
Molecular Weight 112.0868
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains.
2001 Aug 15
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:57 UTC 2023
Edited
by admin
on Sat Dec 16 09:46:57 UTC 2023
Record UNII
4XJZ84GV8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CARBOXYPYRAZOLE
Systematic Name English
PYRAZOLE-4-CARBOXYLIC ACID
Systematic Name English
1H-PYRAZOLE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10191150
Created by admin on Sat Dec 16 09:46:57 UTC 2023 , Edited by admin on Sat Dec 16 09:46:57 UTC 2023
PRIMARY
FDA UNII
4XJZ84GV8E
Created by admin on Sat Dec 16 09:46:57 UTC 2023 , Edited by admin on Sat Dec 16 09:46:57 UTC 2023
PRIMARY
CAS
37718-11-9
Created by admin on Sat Dec 16 09:46:57 UTC 2023 , Edited by admin on Sat Dec 16 09:46:57 UTC 2023
PRIMARY
ECHA (EC/EINECS)
253-641-5
Created by admin on Sat Dec 16 09:46:57 UTC 2023 , Edited by admin on Sat Dec 16 09:46:57 UTC 2023
PRIMARY
PUBCHEM
3015937
Created by admin on Sat Dec 16 09:46:57 UTC 2023 , Edited by admin on Sat Dec 16 09:46:57 UTC 2023
PRIMARY
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