Chem Tert Butanol | Cheminformatics
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2D Structure

Tert. Butanol


  • SKU Code: CH138756
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Chemical Name - Tert. Butanol
Mol Weight - 74.1224
Smiles - CC(C)(C)O
Property Name Property Value
Mol NameTert. Butanol
Molweight74.1224
Monoisotopic Mass74.073165
Clogp0.7904
Clogs-0.964
H Acceptors1
H Donors1
Total Surface Area67.04
Relative Psa0.19541
Polar Surface Area20.23
Druglikeness-5.2647
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.6
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms1
Electronegative Atoms1
Sp3 Atoms5
Symmetric Atoms2
SmilesCC(C)(C)O
InChIKeyInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIDKGAVHZHDRPRBM-UHFFFAOYSA-N

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