5-(Hydroxymethyl)-2,3-dihydro-1H-inden-1-one
Basic information
- CAS
760995-53-7- Standard SMILES
O=C1CCc2cc(CO)ccc21- InChIKey
UQIAUOXNGRZQNP-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)-2,3-dihydro-1H-inden-1-one
- IUPAC
- 5-(hydroxymethyl)-2,3-dihydroinden-1-one
Names & synonyms
760995-53-75-(Hydroxymethyl)-2,3-dihydro-1H-inden-1-one5-(hydroxymethyl)indan-1-one1H-Inden-1-one, 2,3-dihydro-5-(hydroxymethyl)-SCHEMBL4805957UQIAUOXNGRZQNP-UHFFFAOYSA-NDTXSID901259728SB849405-(hydroxymethyl)-2,3-dihydroinden-1-one2,3-Dihydro-5-(hydroxymethyl)-1H-inden-1-one
Database identifiers
- CAS
760995-53-7- PubChem CID
- 69198532
- DTXSID
DTXSID901259728
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
2 records
Compound notes
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