Basic information
- CAS
16832-93-2- Standard SMILES
NC(=O)C1=Cc2ccccc2C1- InChIKey
OAQQLPVORBNWBV-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
structure in first source
Names & identifiers
- Preferred name
- 1H-Indene-2-carboxamide
- IUPAC
- 1H-indene-2-carboxamide
- English name
- 1H-indene-2-carboxamide
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
1H-Indene-2-carboxamide16832-93-26H2NK5AX6EDTXSID40168552RefChem:79856DTXCID2091043240-855-9EINECS 240-855-9indene-2-carboxamideUNII-6H2NK5AX6ESCHEMBL2860722SCHEMBL4503152
Show more names
1H-Indene-2-carboxamide(9CI)
SCHEMBL29541321OAQQLPVORBNWBV-UHFFFAOYSA-NNS00025520
Database identifiers
- CAS
16832-93-2- PubChem CID
- 85604
- DTXSID
DTXSID40168552- UNII
- 6H2NK5AX6E
- EC Number
- 240-855-9
- Nikkaji
- J236.864A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 197 · 197-198 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 386.9 · 386.9±42.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 15.47 · 15.47±0.20(Predicted)
- FDA UNII
- 6 H2NK5AX6E · 6H2NK5AX6E
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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