endo-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one
Basic information
- CAS
5530-96-1- Standard SMILES
O=C1C=CC2C3C=CC(C3)C12- InChIKey
USCIQHADNYEBHX-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Names & identifiers
- Preferred name
- endo-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one
- IUPAC
- tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
Names & synonyms
endo-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one5530-96-1tricyclo[5.2.1.02,6]deca-4,8-dien-3-oneNSC12970715584-54-0SCHEMBL2880061DTXSID50970623USCIQHADNYEBHX-UHFFFAOYSA-NRCL T177156AKOS004907947NSC 129707NSC-129707
Show more names
Tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one3a,4,7,7a-Tetrahydro-1H-4,7-methanoinden-1-one(3Aalpha,4alpha,7alpha,7aalpha)-3a,4,7,7a-tetrahydro-4,7-methanoinden-1-one
Database identifiers
- CAS
5530-96-1- PubChem CID
- 138530
- DTXSID
DTXSID50970623- Nikkaji
- J969.228B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 275
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Related reactions
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Compound notes
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