Marvin  05271115232D          

  4  3  0  0  0  0            999 V2000
   -1.0716   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <ID>
CHEBI:28831

> <NAME>
propan-1-ol

> <DEFINITION>
The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44960; CHEBI:8472; CHEBI:26278

> <SYNONYM>
UN 1274; Propyl alcohol; propanol-1; Propanol; Propane-1-ol; Propan-1-ol; Osmosol extra; Optal; n-Propylalkohol; n-Propyl alcohol; N-PROPANOL; n-Propanol; n-propan-1-ol; Ethylcarbinol; ethyl carbinol; 1-propanol; 1-Propanol; 1-Hydroxypropane

> <IUPAC_NAME>
propan-1-ol

> <FORMULA>
C3H8O

> <MASS>
60.09500

> <MONOISOTOPIC_MASS>
60.05751

> <CHARGE>
0

> <SMILES>
CCCO

> <INCHI>
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

> <INCHIKEY>
BDERNNFJNOPAEC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1098242

> <CAS_REGISTRY_NUMBER>
71-23-8

> <GMELIN_REGISTRY_NUMBER>
25616

> <REAXYS_REGISTRY_NUMBER>
1098242

> <CHEMIDPLUS>
71-23-8

> <DRUGBANK_ACCESSION>
DB03175

> <KEGG_COMPOUND_ACCESSION>
C05979

> <NIST_CHEMISTRY_WEBBOOK>
71-23-8

> <PDBECHEM_ACCESSION>
POL

> <WIKIPEDIA_ACCESSION>
Propan-1-ol

> <PUBMED_CITATION>
21741120; 22565543

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