3,4,7-Trimethyl-1-indanone

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Basic information

CAS: 35322-84-0
Standard SMILES: Cc1ccc(C)c2c1C(=O)CC2C
InChIKey: FSBIQEDMEKAAMA-UHFFFAOYSA-N
Molecular formula: C12H14O
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.10446507

Names & identifiers

Preferred name: 3,4,7-Trimethyl-1-indanone
IUPAC: 3,4,7-trimethyl-2,3-dihydroinden-1-one
English name: 3,4,7-Trimethyl-2,3-dihydro-1H-indene-1-one
Molecular formula: C12H14O
Molecular weight: 174.24

Names & synonyms

3,4,7-Trimethyl-1-indanone35322-84-01H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl-3MYW0T942R1-Indanone, 3,4,7-trimethyl-UNII-3MYW0T942R2,3-Dihydro-3,4,7-trimethyl-1H-inden-1-one3,4,7-Tetramethyl-alpha-indanoneDTXSID003441183,4,7-TETRAMETHYL-.ALPHA.-INDANONERefChem:90968DTXCID20295193

Show more names

3,4,7-trimethyl-2,3-dihydroinden-1-one

FSBIQEDMEKAAMA-UHFFFAOYSA-N3,4,7-trimethylindan-1-one3,4,7-Trimethyl-2,3-dihydro-1H-indene-1-one3,4,7-trimethyl-2,3-dihydro-1H-inden-1-oneSCHEMBL9055083SCHEMBL30639028AKOS013133432DB-240743

Database identifiers

CAS: 35322-84-0
PubChem CID: 594541
DTXSID: DTXSID00344118
UNII: 3MYW0T942R
Nikkaji: J133.535I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 32 · 32-33 °C
Boiling point: 142 °C · 142 °C(Press: 12 Torr)
Density: 1.0467 g/cm3 · 1.0467 g/cm3(Temp: 18.5 °C)
FDA UNII: 3 MYW0T942R · 3MYW0T942R

Related reactions

1 records

New reaction record

HRID 267895As reactantuspto-grants-1976_03

Compound notes

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