| CAS Number | 51079-52-8 |
| Catalog Number | AG00DWS6(AGN-PC-0JS9YQ) |
| Chemical Name | 2-Heptanol, 4,6-dimethyl- |
| IUPAC Name | 4,6-dimethylheptan-2-ol |
| InChI | InChI=1S/C9H20O/c1-7(2)5-8(3)6-9(4)10/h7-10H,5-6H2,1-4H3 |
| InChI Key | YYUGBYFBCFRGNZ-UHFFFAOYSA-N |
| MDL Number | MFCD18969562 |
| Molecular Formula | C9H20O |
| Molecular Weight | 144.2545 |
| SMILES | CC(O)CC(C)CC(C)C |
| Synonyms | 4,6-dimethylheptan-2-ol,
2-Heptanol, 4,6-dimethyl-,
51079-52-8,
AC1LAVF8,
SCHEMBL706865,
CTK1G8452,
DTXSID20334612,
YYUGBYFBCFRGNZ-UHFFFAOYSA-N,
4,6-DIMETHYL-2-HEPTANOL,
AKOS013907527,
MCULE-3603844824,
NE24053,
Z1632971407,
CID521311,
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| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.258g/mol |
| Monoisotopic Mass | 144.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number