Basic information
- CAS
955885-88-8- Standard SMILES
CC(C)(C)OC(=O)c1cc(O)c2c(c1)OC(CO)C2- InChIKey
QDRZXIXHLGDANF-UHFFFAOYSA-N- Molecular formula
- C14H18O5
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.11542368
Names & identifiers
- Preferred name
- tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylate
- IUPAC
- tert-butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-carboxylate
- English name
- 6-Benzofurancarboxylic acid, 2,3-dihydro-4-hydroxy-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
- Molecular formula
- C14H18O5
- Molecular weight
- 0
Names & synonyms
955885-88-8tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylatetert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-carboxylateSCHEMBL642737DTXSID40648627QDRZXIXHLGDANF-UHFFFAOYSA-Ntert-Butyl4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylateDB-4055524-Hydroxy-2-hydroxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester6-Benzofurancarboxylic acid, 2,3-dihydro-4-hydroxy-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
955885-88-8- PubChem CID
- 25067321
- DTXSID
DTXSID40648627
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers2 total
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
15 records
Compound notes
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