Basic information
- CAS
462085-21-8- Standard SMILES
O=C1c2ccccc2C2(O)C(O)CCCN12- InChIKey
FOTITCQIMFWVME-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
Names & identifiers
- Preferred name
- 1,10b-Dihydroxy-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one
- IUPAC
- 1,10b-dihydroxy-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one
- English name
- Pyrido[2,1-a]isoindol-6(2H)-one, 1,3,4,10b-tetrahydro-1,10b-dihydroxy- (9CI)
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.23652
Names & synonyms
Pyrido[2,1-a]isoindol-6(2H)-one, 1,3,4,10b-tetrahydro-1,10b-dihydroxy- (9CI)
Database identifiers
- CAS
462085-21-8- Nikkaji
- J1.736.047G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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