Basic information
- CAS
81413-46-9- Standard SMILES
Cn1c2ccccc2c2oc(CO)cc(=O)c21- InChIKey
HMHLJPWRMYWRAV-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-methylpyrano(3,2-b)indol-4(5H)-one
- IUPAC
- 2-(hydroxymethyl)-5-methylpyrano[3,2-b]indol-4-one
Names & synonyms
J1S2DM7SO081413-46-92-(Hydroxymethyl)-5-methylpyrano(3,2-b)indol-4(5H)-oneUNII-J1S2DM7SO0NSC 371662NSC-371662DTXSID902310882-(Hydroxymethyl)-5-methylpyrano[3,2-b]indol-4(5H)-onePYRANO(3,2-B)INDOL-4(5H)-ONE, 2-(HYDROXYMETHYL)-5-METHYL-RefChem:84748DTXCID90153579NSC371662
Show more names
2-(hydroxymethyl)-5-methyl-pyrano[3,2-b]indol-4-one
Database identifiers
- CAS
81413-46-9- PubChem CID
- 340641
- DTXSID
DTXSID90231088- UNII
- J1S2DM7SO0
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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