Ethyl 5-methyl-1H-indazole-3-carboxylate
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Basic information
- CAS
1908-01-6- Standard SMILES
CCOC(=O)c1n[nH]c2ccc(C)cc12- InChIKey
ANFMPWOIOOOXBW-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- Ethyl 5-methyl-1H-indazole-3-carboxylate
- IUPAC
- ethyl 5-methyl-1H-indazole-3-carboxylate
- English name
- 5-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
ETHYL 5-METHYL-1H-INDAZOLE-3-CARBOXYLATE1908-01-6DTXSID00506971RefChem:344395DTXCID204577791H-Indazole-3-carboxylic acid, 5-methyl-, ethyl ester5-Methyl-1H-indazole-3-carboxylic acid ethyl esterMFCD06659781Ethyl 5-methyl-2H-indazole-3-carboxylateAKOS016003626AB26291AS-30715
Show more names
5-Methyly-1H-indazole-3-carboxylic acid ethyl ester
SY020648DB-065729CS-0196925F225839F792228
Database identifiers
- CAS
1908-01-6- PubChem CID
- 12689366
- DTXSID
DTXSID00506971
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 368.4 · 368.4±22.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.16 · 12.16±0.40(Predicted)
- Appearance
- Light yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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