2,3-Dimethyl-4H-chromen-4-one
Basic information
- CAS
17584-90-6- Standard SMILES
Cc1oc2ccccc2c(=O)c1C- InChIKey
KQLDYIIDXBUUCK-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 2,3-Dimethyl-4H-chromen-4-one
- IUPAC
- 2,3-dimethylchromen-4-one
Names & synonyms
2,3-Dimethyl-4H-chromen-4-one2,3-Dimethylchromone17584-90-6NSC6600474H-1-benzopyran-4-one, 2,3-dimethyl-2,3-Dimethyl-4H-1-benzopyran-4-one2,3-dimethyl-chromen-4-oneSCHEMBL6719113DTXSID50327491KQLDYIIDXBUUCK-UHFFFAOYSA-N2,3-Dimethyl-4H-chromen-4-one #2,3-DIMETHYLBENZOPYRAN-4-ONE
Show more names
AKOS003670167NSC-660047Q63409327InChI=1/C11H10O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H
Database identifiers
- CAS
17584-90-6- PubChem CID
- 378233
- DTXSID
DTXSID50327491- Nikkaji
- J184.297H
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 265
Experimental & physicochemical properties
LogP2.31
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Related reactions
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Compound notes
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