Basic information
- CAS
54903-18-3- Standard SMILES
CCC(O)c1ccc2[nH]c(=O)oc2c1- InChIKey
PBCZFSGREIJADI-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 6-(1-Hydroxypropyl)-1,3-benzoxazol-2-ol
- IUPAC
- 6-(1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
- English name
- 6-(1-Hydroxypropyl)benzoxazol-2(3H)-one
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
54903-18-3DTXSID609702356-(1-Hydroxypropyl)-1,3-benzoxazol-2-olRefChem:1073661DTXCID901397770BRN 07822756-(1-Hydroxypropyl)-2(3H)-benzoxazolone6-(1-Hydroxypropyl)-2-benzoxazolinone2(3H)-Benzoxazolone, 6-(1-hydroxypropyl)-2-BENZOXAZOLINONE, 6-(1-HYDROXYPROPYL)-6-(1-Hydroxypropyl)benzoxazol-2(3H)-oneDB-350117
Show more names
6-(1-hydroxy-propyl)-3H-benzooxazol-2-one
Database identifiers
- CAS
54903-18-3- PubChem CID
- 41228
- DTXSID
DTXSID60970235- Nikkaji
- J65.956H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 9.27 · 9.27±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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