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Basic information
- CAS
100459-00-5- Standard SMILES
O=C(O)C1=CC=CC(O)C1O- InChIKey
INCSWYKICIYAHB-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- 5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid
- IUPAC
- 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Names & synonyms
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acidDTXSID30274252RefChem:1072199DTXCID602257322,3-dihydroxy-2,3-dihydrobenzoic acid2,3-dihydro-2,3-dihydroxybenzoic acidSCHEMBL638361CHEBI:159412,4-Cyclohexadiene-1-carboxylicacid,1,6-dihydroxy-,(1R,6S)-relNCGC00374487-02NCGC00377791-02NCGC00478833-03
Show more names
NCGC00479709-02NCGC00484238-02NCGC00489978-02NCGC00506435-02Q27098309
Database identifiers
- CAS
100459-00-5- PubChem CID
- 3
- DTXSID
DTXSID30274252- ChEBI
CHEBI:15941- Nikkaji
- J2.365.935B
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
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Compound notes
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