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3-methylpentane-1,3,5-triol

3-methylpentane-1,3,5-triol

CAS: 7564-64-9

Formula: C6H14O3

SMILES: CC(O)(CCO)CCO

IUPAC: 3-methylpentane-1,3,5-triol

InChI: InChI=1S/C6H14O3/c1-6(9,2-4-7)3-5-8/h7-9H,2-5H2,1H3

Composition: C (53.71%), H (10.52%), O (35.77%)

Molar Mass: 134.175

Atom Count: 23

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 134.094294311
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey AHHQDHCTHYTBSV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.89
Topological Polar Surface Area 60.69
Polarizability 13.68
Ring Count 0
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
98% <14 Days 7564-64-9 Quote Only