| CAS Number | 1383823-45-7 |
| Catalog Number | AG01C44G |
| Chemical Name | {bicyclo[4.1.0]heptan-3-yl}methanol |
| IUPAC Name | 3-bicyclo[4.1.0]heptanylmethanol |
| InChI | InChI=1S/C8H14O/c9-5-6-1-2-7-4-8(7)3-6/h6-9H,1-5H2 |
| InChI Key | BVPIKJOUCKPVHU-UHFFFAOYSA-N |
| MDL Number | MFCD29763003 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | OCC1CC2C(C2)CC1 |
| Synonyms | {bicyclo[4.1.0]heptan-3-yl}methanol,
1383823-45-7,
SCHEMBL9956428,
BVPIKJOUCKPVHU-UHFFFAOYSA-N,
bicyclo[4.1.0]heptan-3-ylmethanol,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number