Basic information
- CAS
16105-24-1- Standard SMILES
CCOC(=O)n1[nH]c(=O)c2ccccc21- InChIKey
RFZCKRFBTMJGTK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914218
Names & identifiers
- Preferred name
- Ethyl 3-oxo-2,3-dihydro-1H-indazole-1-carboxylate
- IUPAC
- ethyl 3-oxo-2H-indazole-1-carboxylate
- English name
- 3-Hydroxy-1-indazolecarboxylic acid ethyl ester
- Molecular formula
- C10H10N2O3
- Molecular weight
- 206.2
Names & synonyms
16105-24-1Ethyl 3-oxo-2,3-dihydro-1H-indazole-1-carboxylateDTXSID50342740RefChem:343497DTXCID10293820ethyl 3-oxo-2H-indazole-1-carboxylateethyl 3-hydroxy-1H-indazole-1-carboxylate6451-85-02,3-DIHYDRO-3-OXO-1H-INDAZOLE-1-CARBOXYLIC ACID ETHYL ESTER3-HYDROXY-1-INDAZOLECARBOXYLIC ACID ETHYL ESTER1H-INDAZOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-3-OXO-, ETHYL ESTERMFCD10697931
Show more names
ethyl 3-oxo-2,3-dihydro-1H-indazole-1-carboxylate(WXC06806)
1-Indazolinecarboxylic acid, 3-oxo-, ethyl esterOprea1_383298CHEMBL351944SCHEMBL5109451SCHEMBL5113974SCHEMBL5120293SCHEMBL51202963-Oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester
Database identifiers
- CAS
16105-24-1- PubChem CID
- 584113
- DTXSID
DTXSID50342740- ChEMBL
CHEMBL351944- Nikkaji
- J101.717I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 195 · 195-197 °C(Solv: acetic acid (64-19-7))
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.33 · 10.33±0.20(Predicted)
Chemistry & industry
Suppliers9 total
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Related reactions
9 records
Compound notes
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