Mrv0541 04221414442D          

 10  9  0  0  0  0            999 V2000
    0.3436    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9159    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    1.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:78304

> <NAME>
nonan-2-ol

> <DEFINITION>
A secondary alcohol that is nonane substituted by a hydroxy group at position 2.

> <STAR>
3

> <SYNONYM>
nonanol-(2); n-nonan-2-ol; methyl heptyl carbinol; heptyl methyl carbinol; FEMA 3315; 2-nonyl alcohol; 2-nonanol; 2-hydroxynonane; 1-methyl-1-octanol

> <IUPAC_NAME>
nonan-2-ol

> <FORMULA>
C9H20O

> <MASS>
144.25450

> <MONOISOTOPIC_MASS>
144.15142

> <CHARGE>
0

> <SMILES>
CCCCCCCC(C)O

> <INCHI>
InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3

> <INCHIKEY>
NGDNVOAEIVQRFH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
628-99-9

> <REAXYS_REGISTRY_NUMBER>
1719466

> <CHEMIDPLUS>
628-99-9

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000619

> <NIST_CHEMISTRY_WEBBOOK>
628-99-9

> <WIKIPEDIA_ACCESSION>
2-Nonanol

> <AGRICOLA_CITATION>
IND44517372; IND44612730; IND607141119; IND81027903

> <PUBMED_CITATION>
11383159; 18004806; 23030770; 24241706; 24310063; 31108760; 33539937; 37569201; 7663950

$$$$