Basic information
- CAS
54903-17-2- Standard SMILES
CC(O)c1ccc2[nH]c(=O)oc2c1- InChIKey
QIVZJZRUAFFKPJ-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 6-(1-Hydroxyethyl)-1,3-benzoxazol-2-ol
- IUPAC
- 6-(1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
- English name
- 6-(1-Hydroxyethyl)benzoxazol-2(3H)-one
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
54903-17-2DTXSID009702346-(1-Hydroxyethyl)-1,3-benzoxazol-2-olRefChem:1073659DTXCID6013977692(3H)-Benzoxazolone, 6-(1-hydroxyethyl)-BRN 07812846-(1-Hydroxyethyl)-2-benzoxazolinone6-(1-Hydroxyethyl)-2(3H)-benzoxazolone2-BENZOXAZOLINONE, 6-(1-HYDROXYETHYL)-6-(1-Hydroxyethyl)benzoxazol-2(3H)-oneSCHEMBL2547913
Show more names
6-(1-Hydroxyethyl)benzo[d]oxazol-2(3H)-one
QIVZJZRUAFFKPJ-UHFFFAOYSA-N6-(1-hydroxyethyl)-3H-benzoxazol-2-oneDB-350116
Database identifiers
- CAS
54903-17-2- PubChem CID
- 41227
- DTXSID
DTXSID00970234- Nikkaji
- J65.953C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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