Basic information
- CAS
36174-07-9- Standard SMILES
CC(=O)Oc1ccc2c(cnn2C(C)=O)c1- InChIKey
STKYXVXUUPIMSU-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914218
Names & identifiers
- Preferred name
- 1H-Indazol-5-ol, 1-acetyl-, acetate (ester)
- IUPAC
- (1-acetylindazol-5-yl) acetate
- English name
- 1-acetyl-1H-indazol-5-yl acetate
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
36174-07-9Acetyl-1 acetoxy-5 indazole [French]Acetyl-1 acetoxy-5 indazole1H-Indazol-5-ol, 1-acetyl-, acetate (ester)1-Acetyl-1H-indazol-5-ol acetate (ester)DTXSID00189743RefChem:238327DTXCID601122341-acetyl-1h-indazol-5-yl acetate(1-acetylindazol-5-yl) acetateMFCD019381251-[5-(Acetyloxy)-1H-indazol-1-yl]ethanone
Show more names
acetic acid (1-acetyl-5-indazolyl) ester
1-Acetyl-1H-indazol-5-ylacetateEthanone, 1-[5-(acetyloxy)-1H-indazol-1-yl]-SCHEMBL14514301AKOS016014880SY497632DB-311732CS-0363784F18188
Database identifiers
- CAS
36174-07-9- PubChem CID
- 215747
- DTXSID
DTXSID00189743
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 385.3 · 385.3±34.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -2.53 · -2.53±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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