| CAS Number | 38401-41-1 |
| Catalog Number | AG00I7N9(AGN-PC-0JS9QC) |
| Chemical Name | Cyclobutanemethanol, 1-methyl- |
| IUPAC Name | (1-methylcyclobutyl)methanol |
| InChI | InChI=1S/C6H12O/c1-6(5-7)3-2-4-6/h7H,2-5H2,1H3 |
| InChI Key | VLBAFQVSLHQELL-UHFFFAOYSA-N |
| MDL Number | MFCD18072623 |
| Molecular Formula | C6H12O |
| Molecular Weight | 100.1589 |
| SMILES | CC1(CCC1)CO |
| Synonyms | (1-methylcyclobutyl)methanol,
38401-41-1,
CYCLOBUTANEMETHANOL, 1-METHYL-,
Cyclobutanemethanol, 1 methyl-,
AC1LAUUK,
3-Methyl-2-nitro anisole,
SCHEMBL1930892,
VLBAFQVSLHQELL-UHFFFAOYSA-N,
MFCD18072623,
ZINC32152979,
AKOS014313615,
NE21725,
AS-43490,
Q-200388,
F8889-4842,
CID520901,
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| Complexity | 64.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.161g/mol |
| Monoisotopic Mass | 100.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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