Basic information
- CAS
33739-50-3- Standard SMILES
O=c1ccccc(O)c1O- InChIKey
ABNPYUDYGCGOTK-UHFFFAOYSA-N- Molecular formula
- C7H6O3
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.03169405
Overview
7-hydroxytropolone is a cyclic ketone.
Names & identifiers
- Preferred name
- 7-Hydroxytropolone
- IUPAC
- 2,3-dihydroxycyclohepta-2,4,6-trien-1-one
- English name
- 7-hydroxytropolone
- Molecular weight
- 0
Names & synonyms
3-Hydroxytropolone7-Hydroxytropolone2,3-dihydroxycyclohepta-2,4,6-trien-1-one33739-50-32,7-Dihydroxy-2,4,6-cycloheptatrien-1-one2,4,6-Cycloheptatrien-1-one, 2,7-dihydroxy-RefChem:91434734777-04-32,7-dihydroxycyclohepta-2,4,6-trien-1-one2,3-Dihydroxycyclohepta-2,4,6-trienone2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,3-DIHYDROXY-CHEMBL3357560
Show more names
2,3-Dihydroxy-2,4,6-cycloheptatrien-1-oneBRN 32366994-08-00-01740 (Beilstein Handbook Reference)SCHEMBL122963SCHEMBL524434orb3027733ABNPYUDYGCGOTK-UHFFFAOYSA-DTXSID80955342
Database identifiers
- CAS
33739-50-3、34777-04-3- PubChem CID
- 36917
- DTXSID
DTXSID80955342- ChEMBL
CHEMBL3357560- ChEBI
CHEBI:223314- Nikkaji
- J57.874F、J838.839C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers3 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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