| CAS Number | 1228780-51-5 |
| Catalog Number | AG009XFS(AGN-PC-0WCMZO) |
| Chemical Name | (2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methanol |
| IUPAC Name | [2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methanol |
| InChI | InChI=1S/C15H19ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,17H,7-10H2,1-2H3 |
| InChI Key | ZTRTWRMYWVEPEP-UHFFFAOYSA-N |
| MDL Number | MFCD28129722 |
| Molecular Formula | C15H19ClO |
| Molecular Weight | 250.7638 |
| SMILES | CC1(C)CCC(CO)=C(C2=CC=C(Cl)C=C2)C1 |
| Synonyms | 1228780-51-5,
(2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methanol,
[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methanol,
SCHEMBL523660,
2-(4-chlorophenyl)-4,4-dimethyl-1-Cyclohexene-1-methanol,
ZTRTWRMYWVEPEP-UHFFFAOYSA-N,
BCP19680,
MFCD28129722,
ZINC114019095,
CS-13341,
FT-0706250,
[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methanol,
1-Cyclohexene-1-methanol, 2-(4-chlorophenyl)-4,4-dimethyl-,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.766g/mol |
| Monoisotopic Mass | 250.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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