Basic information
- CAS
905710-77-2- Standard SMILES
OCc1ccc2c(c1)COB2O- InChIKey
ZBVCPDWREFJZOJ-UHFFFAOYSA-N- Molecular formula
- C8H9BO3
- Average molar mass
- 163.97 g/mol
- Monoisotopic mass
- 164.0644743
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)benzo[c][1,2]oxaborol-1(3h)-ol
- IUPAC
- (1-hydroxy-3H-2,1-benzoxaborol-5-yl)methanol
- English name
- 5-(hydroxymethyl)benzo[c][1,2]oxaborol-1(3H)-ol
- Molecular formula
- C8H9BO3
- Molecular weight
- 163.97
Names & synonyms
905710-77-25-(hydroxymethyl)benzo[c][1,2]oxaborol-1(3h)-ol(1-hydroxy-3H-2,1-benzoxaborol-5-yl)methanol5-(hydroxymethyl)-1,3-dihydro-2,1-benzoxaborol-1-ol2,1-Benzoxaborole-5-methanol, 1,3-dihydro-1-hydroxy-SCHEMBL500368CHEMBL211354TQP1543ZBVCPDWREFJZOJ-UHFFFAOYSA-NDTXSID101228161DB-102929CS-0079302
Show more names
5-(Hydroxymethyl)-2,1-benzoxaborol-1(3H)-olD740561,3-Dihydro-1-hydroxy-2,1-benzoxaborole-5-methanol1,3-dihydro-1-hydroxy-5-hydroxymethyl-2,1-benzoxaborole
Database identifiers
- CAS
905710-77-2- PubChem CID
- 11845751
- DTXSID
DTXSID101228161- ChEMBL
CHEMBL211354
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 124 · 124-128 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 326.8 · 326.8±52.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 7.17 · 7.17±0.20(Predicted)
Chemistry & industry
Suppliers4 total
凯方医药科技有限公司—
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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