Chem Propylene Glycol 2 Lokc | Cheminformatics
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2D Structure

Propylene Glycol


  • SKU Code: CH141957
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Chemical Name - Propylene Glycol
Mol Weight - 76.0945
Smiles - CC(CO)O
InChI - DNIAPMSPPWPWGF-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
Property Name Property Value
Mol NamePropylene Glycol
Molweight76.0945
Monoisotopic Mass76.05243
Clogp-0.5169
Clogs-0.348
H Acceptors2
H Donors2
Total Surface Area64.72
Relative Psa0.40482
Polar Surface Area40.46
Druglikeness-4.5108
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.8
Molecular Flexibility0.65063
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds1
Sp3 Atoms5
SmilesCC(CO)O
InChIKeyInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIDNIAPMSPPWPWGF-UHFFFAOYSA-N

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