| CAS Number | 67086-95-7 |
| Catalog Number | AG01DTMF(AGN-PC-0HH3Z5) |
| Chemical Name | (4-Methylcyclohexa-1,4-dien-1-yl)methanol |
| IUPAC Name | (4-methylcyclohexa-1,4-dien-1-yl)methanol |
| InChI | InChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,5,9H,3-4,6H2,1H3 |
| InChI Key | ANSZYVPUPWNYIV-UHFFFAOYSA-N |
| MDL Number | MFCD31801304 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | CC1=CCC(CO)=CC1 |
| Synonyms | (4-Methylcyclohexa-1,4-dien-1-yl)methanol,
67086-95-7,
SCHEMBL2726388,
ZINC145172988,
1,4-Cyclohexadiene-1-methanol, 4-methyl-,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number