CAS 5381-33-9 2-Benzylidene-1,3-indandione (HCID 237822)

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Basic information

CAS: 5381-33-9
Standard SMILES: O=C1C(=Cc2ccccc2)C(=O)c2ccccc21
InChIKey: OPKPFEWFKYKJCF-UHFFFAOYSA-N
Molecular formula: C16H10O2
Average molar mass: 234.25 g/mol
Monoisotopic mass: 234.06807956

Names & identifiers

Preferred name: 2-Benzylidene-1,3-indandione
IUPAC: 2-benzylideneindene-1,3-dione
English name: 2-benzylideneindene-1,3-dione
Molecular formula: C16H10O2
Molecular weight: 234.25

Names & synonyms

2-Benzylidene-1,3-indandioneRefChem:465692661-536-42-benzylidene-1h-indene-1,3(2h)-dione5381-33-92-benzylideneindene-1,3-dione2-(phenylmethylene)-1H-indene-1,3(2H)-dione2-(phenylmethylidene)-2,3-dihydro-1H-indene-1,3-dioneMFCD001567972-Benzylidene-indan-1,3-dione2-(phenylmethylidene)indene-1,3-dione2-(phenylmethylene)cyclopenta[1,2-a]benzene-1,3-dione

Show more names

2-Benzylidenindan-1,3-dione2-benzylidene-indan-1，3-dione1H-Indene-1,3(2H)-dione, 2-(phenylmethylene)-

2-Benzylideneindane-1,3-dioneNSC416942-benzylidene-2h-indene-1,3-dioneCBMicro_005238CHEMBL27385SCHEMBL677432DTXSID30285409HMS1787J01

Database identifiers

CAS: 5381-33-9
PubChem CID: 237822
DTXSID: DTXSID30285409
ChEMBL: CHEMBL27385
EC Number: 661-536-4
Nikkaji: J451.243J

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 362

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501