Marvin  05150611242D          

  4  3  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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  2  1  0  0  0  0
M  END
> <ID>
CHEBI:17824

> <NAME>
propan-2-ol

> <DEFINITION>
A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8467; CHEBI:43588; CHEBI:14897; CHEBI:26280

> <SYNONYM>
sec-propanol; propan-2-ol; Propan-2-ol; Isopropylalkohol; Isopropyl alcohol; isopropyl alcohol; ISOPROPYL ALCOHOL; Isopropanol; IPA; i-Propylalkohol; i-propanol; 2-Propanol; 2-hydroxypropane; 1-methylethyl alcohol; 1-methylethanol

> <IUPAC_NAME>
propan-2-ol

> <FORMULA>
C3H8O

> <MASS>
60.09502

> <MONOISOTOPIC_MASS>
60.05751

> <CHARGE>
0

> <SMILES>
CC(C)O

> <INCHI>
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

> <INCHIKEY>
KFZMGEQAYNKOFK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
67-63-0

> <GMELIN_REGISTRY_NUMBER>
1464

> <REAXYS_REGISTRY_NUMBER>
635639

> <CHEMIDPLUS>
67-63-0

> <DRUGBANK_ACCESSION>
DB04402

> <KEGG_COMPOUND_ACCESSION>
C01845

> <KEGG_DRUG_ACCESSION>
D00137

> <KNAPSACK_ACCESSION>
C00048438

> <METACYC_ACCESSION>
ISO-PROPANOL

> <NIST_CHEMISTRY_WEBBOOK>
67-63-0

> <PDBECHEM_ACCESSION>
IPA

> <WIKIPEDIA_ACCESSION>
Isopropyl_Alcohol

> <YMDB_ACCESSION>
YMDB01718

> <PUBMED_CITATION>
24524727; 24653974

$$$$