1,3-Propanediol

1,3-Propanediol bmse000303 - Data

1,3-Propanediol synonyms

1,3-PROPANEDIOL; beta-Propylene glycol; 1,3-Propylene glycol; 1,3-Dihydroxypropane; 2-Deoxyglycerol; 2-(Hydroxymethyl)ethanol; PG; omega-Propanediol; Trimethylene glycol; 1,3-Propylenediol

Wikipedia:

Graphical representations:

1,3-Propanediol

View large 3D structure

Molecular Formula: C3H8O2

Natural Isotopic Abundance Mass: 76.09442

Mono-Isotopic Molecular Masses:

  • C12N14: 76.052429501
  • C13N14: 79.0624940144
  • C12N15: 76.052429501
  • C13N15: 79.0624940144

InChI string: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

PubChem Compound (CID): 10442
CAS Registry number: 504-63-2 757125-93-2
ChemIDplus: 000504632
EINECS: 207-997-3
Beilstein Handbook Reference: 4-01-00-02493
PDB Compound ID: HPG PDO

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)