Basic information
- CAS
185224-25-3- Standard SMILES
Cc1ccc2c(c1)C(=O)C[C@H](C)O2- InChIKey
KMJGVNLHBBEOQD-QMMMGPOBSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Overview
AC1LIEKQ has been reported in Leontopodium alpinum and Filago congesta with data available.
Names & identifiers
- Preferred name
- (s)-2,6-Dimethylchroman-4-one
- IUPAC
- (2S)-2,6-dimethyl-2,3-dihydrochromen-4-one
Names & synonyms
(s)-2,6-dimethylchroman-4-one185224-25-3AC1LIEKQ(2S)-2,6-dimethyl-3,4-dihydro-2H-1-benzopyran-4-oneSCHEMBL3681000DTXSID10358584(2S)-2,6-Dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
185224-25-3- PubChem CID
- 902823
- DTXSID
DTXSID10358584- Nikkaji
- J811.477C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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