1H-Indene-1,3(2H)-dione, 2-nitroso-
Basic information
- CAS
20854-76-6- Standard SMILES
O=NC1C(=O)c2ccccc2C1=O- InChIKey
ZQQVLLUALVAKKD-UHFFFAOYSA-N- Molecular formula
- C9H5NO3
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.02694302
Names & identifiers
- Preferred name
- 1H-Indene-1,3(2H)-dione, 2-nitroso-
- IUPAC
- 2-nitrosoindene-1,3-dione
- English name
- 2-nitroso-1H-indene-1,3(2H)-dione
- Molecular formula
- C9H5NO3
- Molecular weight
- 175.14
Names & synonyms
2-Nitroso-1H-indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione, 2-nitroso-EINECS 244-083-32-Nitroso-1,3-indandioneDTXSID5066661RefChem:79855DTXCID5036391244-083-320854-76-6YM4HKA3GUCSCHEMBL28818761ZQQVLLUALVAKKD-UHFFFAOYSA-N
Show more names
DB-293297NS00026754
Database identifiers
- CAS
20854-76-6- PubChem CID
- 88714
- DTXSID
DTXSID5066661- UNII
- YM4HKA3GUC
- EC Number
- 244-083-3
- Nikkaji
- J225.351H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indene-1,3 · 1H-Indene-1,3(2H)-dione, 2-nitroso- (20854-76-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene-1,3(2H)-dione, 2-nitroso-: INACTIVE
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Related reactions
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Compound notes
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