Basic information
- CAS
54484-71-8- Standard SMILES
Cc1ccc2c(c1)C(=O)CC2(C)C- InChIKey
BBBFALQBOTUYTC-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 3,3,6-Trimethyl-1-indanone
- IUPAC
- 3,3,6-trimethyl-2H-inden-1-one
- English name
- 3,3,6-Trimethyl-1-indanone
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
3,3,6-Trimethyl-1-indanone54484-71-8DTXSID20344115RefChem:270137DTXCID402951903,3,6-trimethyl-2H-inden-1-one3,3,6-trimethyl-2,3-dihydro-1H-inden-1-one3,3,6-trimethylindan-1-oneMFCD189711493,3,6-Trimethyl-indan-1-one1H-Inden-1-one, 2,3-dihydro-3,3,6-trimethyl-SCHEMBL568994
Show more names
2,3-Dihydro-3,3,6-trimethyl-1H-inden-1-one
3,3,6-Trimethyl-1-indanone #AKOS018397223DB-356560N14409
Database identifiers
- CAS
54484-71-8- PubChem CID
- 594538
- DTXSID
DTXSID20344115- Nikkaji
- J102.460D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 42 · 42-43℃
- Boiling point
- 283 ℃ · 283℃
- Density
- 1.026 · 1.026
- Flash point
- 118 ℃ · 118℃
Chemistry & industry
Suppliers5 total
上海拓朴医药科技有限公司+86 (21) 5196-9732
嘉兴诺华化工有限公司18957373295
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
3 records
Compound notes
Loading…