| CAS Number | 61533-67-3 |
| Catalog Number | AG00F4UY(AGN-PC-0T0RJV) |
| Chemical Name | 1-(1,3-Benzoxazol-2-yl)ethan-1-ol |
| IUPAC Name | 1-(1,3-benzoxazol-2-yl)ethanol |
| InChI | InChI=1S/C9H9NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3 |
| InChI Key | VWZPVYDIHHKSEE-UHFFFAOYSA-N |
| MDL Number | MFCD00224019 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | CC(C1OC2=C(C=CC=C2)N=1)O |
| Synonyms | 1-(1,3-benzoxazol-2-yl)ethan-1-ol,
61533-67-3,
2-Benzoxazolemethanol, alpha-methyl-,
AC1Q2BUD,
1-benzooxazol-2-yl-ethanol,
1-(Benzoxazole-2-yl)ethanol,
SCHEMBL10480315,
1-(1,3-benzoxazol-2-yl)ethanol,
AKOS003401772,
AKOS023101189,
NE18758,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number