methyl 2H-isoindole-1-carboxylate
Basic information
- CAS
56365-71-0- Standard SMILES
COC(=O)c1[nH]cc2ccccc12- InChIKey
DFJSYGHFZLYJGA-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- methyl 2H-isoindole-1-carboxylate
- IUPAC
- methyl 2H-isoindole-1-carboxylate
- English name
- 2H-Isoindole-1-carboxylic acid methyl ester
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
56365-71-02H-Isoindole-1-carboxylic acid methyl estermethyl 2H-isoindole-1-carboxylate2H-Isoindole-1-carboxylic acid, methyl esterMFCD131785571-methoxycarbonylisoindoleNSC289126SCHEMBL10259099DTXSID50314841AKOS022177696NSC-2891262H-Indole-1-carboxylic acid methyl ester
Show more names
BS-17085CS-0161478F30575NSC289126, CID324283, 56365-71-0FT-0698605SB376882H-Isoindole-1-carboxylicacidmethylesterSY244439
Database identifiers
- CAS
56365-71-0- PubChem CID
- 324283
- DTXSID
DTXSID50314841
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 145 · 145-147 °C
- Boiling point
- 350.2 · 350.2±15.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.97 · 14.97±0.30(Predicted)
- Appearance
- White to yellow Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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