| CAS Number | 85712-05-6 |
| Catalog Number | AG003FZA(AGN-PC-0KNYPX) |
| Chemical Name | 2,5-dimethyl-1-heptanol |
| EC Number | 288-363-3 |
| IUPAC Name | 2,5-dimethylheptan-1-ol |
| InChI | InChI=1S/C9H20O/c1-4-8(2)5-6-9(3)7-10/h8-10H,4-7H2,1-3H3 |
| InChI Key | ZEIZTVAKJXMCSQ-UHFFFAOYSA-N |
| MDL Number | MFCD20385930 |
| Molecular Formula | C9H20O |
| Molecular Weight | 144.2545 |
| SMILES | CC(CO)CCC(CC)C |
| Synonyms | 2,5-dimethyl-1-heptanol,
2,5-Dimethylheptan-1-ol,
85712-05-6,
EINECS 288-363-3,
AC1MIACW,
1-Heptanol,2,5-dimethyl-,
SCHEMBL1053096,
CTK5F5579,
AKOS013992980,
TRA0082711,
C9-H20-O,
CID3020916,
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| Complexity | 71.1 |
| 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 | 5 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number