9,10-Dihydroanthracene-9,10-dicarboxylic acid
Basic information
- CAS
963-85-9- Standard SMILES
O=C(O)C1c2ccccc2C(C(=O)O)c2ccccc21- InChIKey
PVMCPGUXDQYVHS-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 9,10-Dihydroanthracene-9,10-dicarboxylic acid
- IUPAC
- 9,10-dihydroanthracene-9,10-dicarboxylic acid
Names & synonyms
9,10-dihydroanthracene-9,10-dicarboxylic acidDTXSID901034542963-85-9RefChem:1074817DTXCID901519071NSC6289479,10-Dihydro-9,10-anthracenedicarboxylic acidCHEMBL2006253SCHEMBL11527593DTXSID601034543NSC-628947963-86-0
Show more names
NCI60_009390trans-9,10-Dihydro-9,10-anthracenedicarboxylic acid
Database identifiers
- CAS
963-85-9、963-86-0- PubChem CID
- 363755
- DTXSID
DTXSID901034542- ChEMBL
CHEMBL2006253- Nikkaji
- J1.811.919F、J1.850.504E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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