z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-
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Basic information
- CAS
4136-26-9- Standard SMILES
COc1cc2c(cc1OC)C(C)(C)CC2=O- InChIKey
KYEDLQFODOWDRO-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-
- IUPAC
- 5,6-dimethoxy-3,3-dimethyl-2H-inden-1-one
- English name
- NISTC4136269
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
4136-26-9z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-DTXSID10194308RefChem:388535DTXCID801167995,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one5,6-dimethoxy-3,3-dimethyl-2H-inden-1-oneNISTC4136269MFCD180729195,6-dimethoxy-3,3-dimethyl-1-indanoneSCHEMBL301752AKOS016007254
Show more names
2,3-dihydro-5,6-diMethoxy-3,3-diMethyl-1H-inden-1-one1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-3,3-dimethyl-
5,6-dimethoxy-3,3-dimethylindan-1-oneDS-17786SY1027385,6-dimethoxy-3,3-dimethyl-indan-1-oneDB-349743CS-0153800z1-Indanone, 5,6-dimethoxy-3,3-dimethyl-,C75105
Database identifiers
- CAS
4136-26-9- PubChem CID
- 138129
- DTXSID
DTXSID10194308- Nikkaji
- J2.157.862B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 68.5 · 68.5-69 °C
- Boiling point
- 351.2 · 351.2±42.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to brown Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
6 records
Compound notes
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