Basic information
- CAS
28758-94-3- Standard SMILES
O=C1C2=C(CCCC2)C(=O)c2ccccc21- InChIKey
OTBHDFWQZHPNPU-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- Tetrahydroanthraquinone
- IUPAC
- 1,2,3,4-tetrahydroanthracene-9,10-dione
Names & synonyms
tetrahydroanthraquinone4923-66-4Anthraquinone, tetrahydro-5ES19BYC289,10-Anthracenedione, tetrahydro-UNII-5ES19BYC28DTXSID8027701628758-94-3RefChem:188647DTXCID502281761,2,3,4-tetrahydroanthracene-9,10-dioneNSC380
Show more names
Oprea1_275142SCHEMBL5453081,3,4-Tetrahydroanthraquinone9, 1,2,3,4-tetrahydro-SCHEMBL29519720NSC-380Anthraquinone,2,3,4-tetrahydro-OTBHDFWQZHPNPU-UHFFFAOYSA-N
Database identifiers
- CAS
28758-94-3、4923-66-4- PubChem CID
- 219295
- DTXSID
DTXSID80277016- UNII
- 5ES19BYC28
- Nikkaji
- J3.420.854I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Related reactions
6 records
Compound notes
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