| CAS Number | 180716-28-3 |
| Catalog Number | AG00AVCY(AGN-PC-025H0G) |
| Chemical Name | 5-BENZOXAZOLOL |
| IUPAC Name | 1,3-benzoxazol-5-ol |
| InChI | InChI=1S/C7H5NO2/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H |
| InChI Key | UPPYOQWUJKAFSG-UHFFFAOYSA-N |
| MDL Number | MFCD11110248 |
| Molecular Formula | C7H5NO2 |
| Molecular Weight | 135.1201 |
| SMILES | C1=CC2=C(C=C1O)N=CO2 |
| Synonyms | benzo[d]oxazol-5-ol,
1,3-benzoxazol-5-ol,
180716-28-3,
5-hydroxybenzoxazole,
5-BENZOXAZOLOL,
SCHEMBL926781,
DTXSID60597446,
UPPYOQWUJKAFSG-UHFFFAOYSA-N,
ZINC18551670,
AKOS006308193,
CS-W000045,
MCULE-9369337908,
SY058509,
MFCD11110248 (95%),
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.122g/mol |
| Monoisotopic Mass | 135.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number