| CAS Number | 3313-85-7 |
| Catalog Number | AG01BVZY(AGN-PC-0JOWUN) |
| Chemical Name | {bicyclo[3.1.0]hexan-6-yl}methanol |
| IUPAC Name | 6-bicyclo[3.1.0]hexanylmethanol |
| InChI | InChI=1S/C7H12O/c8-4-7-5-2-1-3-6(5)7/h5-8H,1-4H2 |
| InChI Key | WYAHVDWWLAYJOA-UHFFFAOYSA-N |
| MDL Number | MFCD24138895 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| NSC Number | 249259 |
| SMILES | OCC1C2C1CCC2 |
| Synonyms | Bicyclo[3.1.0]hexane-6-methanol,
3313-85-7,
NSC249259,
BICYCLO[3.1.0]HEXAN-6-YLMETHANOL,
AC1L7W1B,
SCHEMBL5326361,
CTK1C4932,
DTXSID10312060,
6-bicyclo[3.1.0]hexanylmethanol,
AKOS020216271,
NSC-249259,
BICYCLO[3.1.0]HEXAN-6-YLMETHANOL, Mixture of diastereomers,
C(O)C1C2CCCC12,
CID317458,
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| Complexity | 90.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number