4',5'-Dimethyl-5-carboxyfluorescein
Basic information
- CAS
100111-02-2- Standard SMILES
Cc1c(O)ccc2c1Oc1c(ccc(O)c1C)C21OC(=O)c2cc(C(=O)O)ccc21- InChIKey
YBPPXXBBVCHENS-UHFFFAOYSA-N- Molecular formula
- C23H16O7
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.08960285
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4',5'-Dimethyl-5-carboxyfluorescein
- IUPAC
- 3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
- English name
- 4',5'-dimethyl-5-carboxyfluorescein
- Molecular weight
- 0
Names & synonyms
100111-02-24',5'-Dimethyl-5-carboxyfluoresceinMe2CFDTXSID30142947RefChem:95882DTXCID00654383',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid3',6'-dihydroxy-4',5'-dimethyl-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid3',6'-Dihydroxy-4',5'-dimethyl-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid3',6'-Dihydroxy-4',5'-dimethyl-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-5-carboxylic acidSpiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6'-dihydroxy-4',5'-dimethyl-3-oxo-
Database identifiers
- CAS
100111-02-2- PubChem CID
- 127484
- DTXSID
DTXSID30142947- Nikkaji
- J672.686K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 692
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Related reactions
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Compound notes
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