2D Structure

Trimethylol Propene


  • SKU Code: CH142002
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Chemical Name - Trimethylol Propene
Mol Weight - 132.158
Smiles - C=CC(CO)(CO)CO
InChI - JWOACSMESNKGGJ-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H12O3/c1-2-6(3-7,4-8)5-9/h2,7-9H,1,3-5H2
Property Name Property Value
Mol NameTrimethylol Propene
Molweight132.158
Monoisotopic Mass132.078645
Clogp-0.2955
Clogs-0.279
H Acceptors3
H Donors3
Total Surface Area108.78
Relative Psa0.36128
Polar Surface Area60.69
Druglikeness-7.9095
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Flexibility0.8895
Molecular Complexity0.57565
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms4
SmilesC=CC(CO)(CO)CO
InChIKeyInChI=1S/C6H12O3/c1-2-6(3-7,4-8)5-9/h2,7-9H,1,3-5H2
InChIJWOACSMESNKGGJ-UHFFFAOYSA-N

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