1H-Benz[f]indene-1,3(2H)-dione

HCID 607233CAS 22734-61-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CC(=O)c2cc3ccccc3cc21
InChIKey
YAJKDGXVZVCTKQ-UHFFFAOYSA-N
Molecular formula
C13H8O2
Average molar mass
196.2 g/mol
Monoisotopic mass
196.0524295

Names & identifiers

Preferred name
1H-Benz[f]indene-1,3(2H)-dione
IUPAC
cyclopenta[b]naphthalene-1,3-dione
English name
1H-cyclopenta[b]naphthalene-1,3(2H)-dione
Molecular formula
C13H8O2
Molecular weight
196.2

Names & synonyms

1H-Benz[f]indene-1,3(2H)-dione22734-61-8DTXSID403458061H-Benz(f)indene-1,3(2H)-dioneRefChem:237428DTXCID90296879YAJKDGXVZVCTKQ-UHFFFAOYSA-N1H-Cyclopenta[b]naphthalene-1,3(2H)-dioneBenz[f]indane-1,3-dioneSCHEMBL1823391H-Cyclopenta[b]naphthalene-1,3(2H)-dione #EA315
Show more names
1,1'-biphenyl]-4,4'-diyldimethanethiol

Database identifiers

CAS
22734-61-8
PubChem CID
607233
DTXSID
DTXSID40345806
Nikkaji
J3.507.085K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
15

Physicochemical properties

Melting point
223 · 223-225 °C (decomp)(Solv: water (7732-18-5))
Boiling point
412 · 412.0±25.0 °C(Predicted)
Density
1.347 · 1.347±0.06 g/cm3(Predicted)
InChI
InChI=1S/C13H8O2/c14-12-7-13(15)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-6H,7H2
InChIKey
YAJKDGXVZVCTKQ-UHFFFAOYSA-N
SMILES
C1(=O)C2=C(C=C3C=CC=CC3=C2)C(=O)C1

Chemistry & industry

Suppliers9 total

深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755 13266723223 · [email protected]
南京凯木可科技有限公司15077877613 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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