Basic information
- CAS
552-21-6- Standard SMILES
O=C(O)c1cc(O)c(O)c(O)c1Cc1c(C(=O)O)cc(O)c(O)c1O- InChIKey
HEFYRPDDQCAYRU-UHFFFAOYSA-N- Molecular formula
- C15H12O10
- Average molar mass
- 352.25 g/mol
- Monoisotopic mass
- 352.04304658
Names & identifiers
- Preferred name
- Methylenedigallic acid
- IUPAC
- 2-[(6-carboxy-2,3,4-trihydroxyphenyl)methyl]-3,4,5-trihydroxybenzoic acid
- English name
- 3,3',4,4',5,5'-hexahydroxy-2,2'-methylenedi(benzoic acid)
- Molecular formula
- C15H12O10
- Molecular weight
- 352.25
Names & synonyms
Methylenedigallic acid552-21-6UNII-656LNJ8CD5656LNJ8CD52,2'-methylenebis(3,4,5-trihydroxybenzoic acid)EINECS 209-005-4METHYLENEBISGALLIC ACIDDTXSID20203692METHYLENEDIGALLIC ACID [MI]GALLIC ACID, 2,2'-METHYLENEDI-RefChem:158201DTXCID50126183
Show more names
2,2'-Methylenebis[3,4,5-trihydroxybenzoic acid]Benzoic acid, 2,2'-methylenebis[3,4,5-trihydroxy-2-(6-carboxy-2,3,4-trihydroxy-benzyl)-3,4,5-trihydroxy-benzoic acid2-[(6-carboxy-2,3,4-trihydroxyphenyl)methyl]-3,4,5-trihydroxybenzoic acid2-[(6-carboxy-2,3,4-trihydroxy-phenyl)methyl]-3,4,5-trihydroxy-benzoic acid
209-005-43,3',4,4',5,5'-Hexahydroxy-2,2'-methylenedi(benzoic acid)SCHEMBL2135585HEFYRPDDQCAYRU-UHFFFAOYSA-NNS00033265Q27263834
Database identifiers
- CAS
552-21-6- PubChem CID
- 68372
- DTXSID
DTXSID20203692
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- FDA UNII
- 656 LNJ8CD5 · 656LNJ8CD5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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