Spiro[4H-1-benzopyran-4,2a(2)-[2H]indene]-3-carbonitrile, 1a(2),2,3,3a(2),5,6,7,8-octahydro-2,7,7-trimethyl-1a(2),3a(2),5-trioxo-
Basic information
- CAS
1188263-99-1- Standard SMILES
CC1OC2=C(C(=O)CC(C)(C)C2)C2(C(=O)c3ccccc3C2=O)C1C#N- InChIKey
QFDHFLDGVSCKMA-UHFFFAOYSA-N- Molecular formula
- C21H19NO4
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.13140809
Names & identifiers
- Preferred name
- Spiro[4H-1-benzopyran-4,2a(2)-[2H]indene]-3-carbonitrile, 1a(2),2,3,3a(2),5,6,7,8-octahydro-2,7,7-trimethyl-1a(2),3a(2),5-trioxo-
- IUPAC
- 2,7,7-trimethyl-1',3',5-trioxospiro[2,3,6,8-tetrahydrochromene-4,2'-indene]-3-carbonitrile
Names & synonyms
DTXSID4011069681188263-99-1Spiro[4H-1-benzopyran-4,2a(2)-[2H]indene]-3-carbonitrile, 1a(2),2,3,3a(2),5,6,7,8-octahydro-2,7,7-trimethyl-1a(2),3a(2),5-trioxo-
Database identifiers
- CAS
1188263-99-1- PubChem CID
- 165367276
- DTXSID
DTXSID401106968
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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