Basic information
- CAS
31060-64-7- Standard SMILES
O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c2ccccc21- InChIKey
XKPKACXWCATSFM-UHFFFAOYSA-N- Molecular formula
- C18H11NO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.07897859
Names & identifiers
- Preferred name
- 2-(1H-Indol-3-ylmethylene)-indan-1,3-dione
- IUPAC
- 2-(1H-indol-3-ylmethylidene)indene-1,3-dione
- English name
- CHEMBRDG-BB 5117650
- Molecular formula
- C18H11NO2
- Molecular weight
- 273.29
Names & synonyms
31060-64-72-(1H-Indol-3-ylmethylene)-indan-1,3-dione2-(1H-indol-3-ylmethylidene)indene-1,3-dioneNSC6601632-(1H-indol-3-ylmethylene)-1H-indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione,2-(1H-indol-3-ylmethylene)-2-(indol-3-ylmethylene)cyclopenta[1,2-a]benzene-1,3-dione2-[(1H-Indol-3-yl)methylidene]-1H-indene-1,3(2H)-dioneNSC131910TimTec1_001760CBDivE_0011113-Indolydene-1,3-indanedione
Show more names
TOSLAB 97688CHEMBRDG-BB 51176501H-Indene-1,3(2H)-dione, 2-(1H-indol-3-ylmethylene)-
2-(1H-indol-3-ylmethylidene)-1H-indene-1,3(2H)-dioneDTXSID70299661HMS1538P22STK327092AKOS000671557NSC-131910NSC-660163ST024374
Database identifiers
- CAS
31060-64-7- PubChem CID
- 280323
- DTXSID
DTXSID70299661- Nikkaji
- J3.245.069E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Chemistry & industry
Suppliers1 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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