| CAS Number | 1363210-25-6 |
| Catalog Number | AG00HUI9(AGN-PC-0WG3XY) |
| Chemical Name | (4,5,6,7-Tetrahydrobenzo[C]isoxazol-3-YL)methanol |
| IUPAC Name | 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethanol |
| InChI | InChI=1S/C8H11NO2/c10-5-8-6-3-1-2-4-7(6)9-11-8/h10H,1-5H2 |
| InChI Key | ATQYGVCVGUFDOG-UHFFFAOYSA-N |
| MDL Number | MFCD23378487 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | OCC1=C2CCCCC2=NO1 |
| Synonyms | (4,5,6,7-TETRAHYDROBENZO[C]ISOXAZOL-3-YL)METHANOL,
1363210-25-6,
MFCD23378487,
ZINC24731482,
AM806376,
AS-39823,
CS-0037028,
4,5,6,7-TETRAHYDRO-2,1-BENZOXAZOL-3-YLMETHANOL,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number