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heptane-3,5-diol

heptane-3,5-diol

CAS: 77291-90-8

Formula: C7H16O2

SMILES: CCC(O)CC(O)CC

IUPAC: heptane-3,5-diol

InChI: InChI=1/C7H16O2/c1-3-6(8)5-7(9)4-2/h6-9H,3-5H2,1-2H3

Composition: C (63.60%), H (12.20%), O (24.20%)

Molar Mass: 132.203

Atom Count: 25

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 132.115029755
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BQWORYKVVNTRAW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.3
Topological Polar Surface Area 40.46
Polarizability 14.86
Ring Count 0
Rotatable Bond Count 4

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