3-oxo-2,3-dihydro-1H-indazole-4-carboxylic acid
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Basic information
- CAS
7384-17-0- Standard SMILES
O=C(O)c1cccc2[nH][nH]c(=O)c12- InChIKey
BUCGZRNYKPSWMC-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.03784206
Names & identifiers
- Preferred name
- 3-oxo-2,3-dihydro-1H-indazole-4-carboxylic acid
- IUPAC
- 3-oxo-1,2-dihydroindazole-4-carboxylic acid
- English name
- 3-OXO-4-INDAZOLINE CARBOXYLIC ACID
- Molecular formula
- C8H6N2O3
- Molecular weight
- 178.14
Names & synonyms
3-Oxo-2,3-dihydro-1H-indazole-4-carboxylic acidRefChem:504643875-572-57384-17-03-OXO-4-INDAZOLINE CARBOXYLIC ACID3-oxo-1,2-dihydroindazole-4-carboxylic acid2,3-DIhydro-3-oxo-1H-indazole-4-carboxylic acidMFCD000472043-Hydroxy-1H-indazole-4-carboxylic acid2,3-dihydro-3-oxo-1H-Indazole-4-carboxylicacid1H-Indazole-4-carboxylic acid, 2,3-dihydro-3-oxo-NSC141150
Show more names
3-Oxo-3H-indazole-4-carboxylic acid1H-Indazole-4-carboxylicacid,2,3-dihydro-3-oxo-
SCHEMBL3551234DTXSID70994962BUCGZRNYKPSWMC-UHFFFAOYSA-NAKOS006275374NSC-141150AS-55120DA-17480SY240108
Database identifiers
- CAS
7384-17-0- PubChem CID
- 284847
- DTXSID
DTXSID70994962- EC Number
- 875-572-5
- Nikkaji
- J1.406.616K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- form
- solid
- InChI
- 1S/C8H6N2O3/c11-7-6-4(8(12)13)2-1-3-5(6)9-10-7/h1-3H,(H,12,13)(H2,9,10,11)
- InChIKey
- BUCGZRNYKPSWMC-UHFFFAOYSA-N
- CAS DataBase Reference
- 7384 · 7384-17-0
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H410
- Precautionary statements
- 261 · P261-P264-P273-P280-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Eye · Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H317-H319-H410
- Hazard Classifications
- Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P273-P280-P391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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