Basic information
- CAS
17113-34-7- Standard SMILES
COC(=O)c1c(O)ccc(-c2ccc(OC)cc2)c1C(=O)OC- InChIKey
YCJGBWAHHJYBMC-UHFFFAOYSA-N- Molecular formula
- C17H16O6
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.09468823
Names & identifiers
- Preferred name
- 2,3-Dimethyl 4-hydroxy-4'-methoxy(1,1'-biphenyl)-2,3-dicarboxylate
- IUPAC
- dimethyl 3-hydroxy-6-(4-methoxyphenyl)benzene-1,2-dicarboxylate
Names & synonyms
17113-34-72,3-Dimethyl 4-hydroxy-4'-methoxy[1,1'-biphenyl]-2,3-dicarboxylate2,3-Dimethyl 4-hydroxy-4'-methoxy(1,1'-biphenyl)-2,3-dicarboxylateRefChem:244976CBMicro_042211Oprea1_774476DTXSID901163727STL523223AKOS030500089BIM-0041971.P001EU-0077906SR-01000490065
Show more names
SR-01000490065-1dimethyl 4-hydroxy-4'-methoxybiphenyl-2,3-dicarboxylatedimethyl 4-hydroxy-4'-methoxy-[1,1'-biphenyl]-2,3-dicarboxylateDimethyl 4-hydroxy-4'-methoxy[1,1'-biphenyl]-2,3-dicarboxylate2,3-Dimethyl 4-hydroxy-4a(2)-methoxy[1,1a(2)-biphenyl]-2,3-dicarboxylate
Database identifiers
- CAS
17113-34-7- PubChem CID
- 745895
- DTXSID
DTXSID901163727- Nikkaji
- J873.286H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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