1,3-Propanediol-2-13C

Base Information

• Chemical Name: 1,3-Propanediol-2-13C
• CAS No.: 285138-84-3
• Molecular Formula: C3H8 O2
• Molecular Weight: 77.1
• DSSTox Substance ID: DTXSID70583996
• Wikidata: Q82475617
• Mol file: 285138-84-3.mol

Synonyms:1,3-Propanediol-2-13C;285138-84-3;(213C)propane-1,3-diol;DTXSID70583996;(2-~13~C)Propane-1,3-diol;1,3-Propanediol-2-13C, 99 atom % 13C

Chemical Property of 1,3-Propanediol-2-13C

Chemical Property:

• Melting Point: −27 °C(lit.)
• Refractive Index: n20/D 1.44(lit.)
• Boiling Point: 214 °C(lit.)
• Flash Point: 175 °F
• PSA: 40.46000
• Density: 1.067 g/mL at 25 °C
• LogP: -0.63890
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 77.055784329
• Heavy Atom Count: 5
• Complexity: 12.4

Purity/Quality:

99% atom 13C ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)CO
• Isomeric SMILES: C([13CH2]CO)O

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