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(3S,6S)-octane-3,6-diol

(3S,6S)-octane-3,6-diol

CAS: 136705-66-3

Formula: C8H18O2

SMILES: CC[C@H](O)CC[C@@H](O)CC

IUPAC: (3S,6S)-octane-3,6-diol

InChI: InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1

Composition: C (65.71%), H (12.41%), O (21.88%)

Molar Mass: 146.23

Atom Count: 28

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 146.13067982
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BCKOQWWRTRBSGR-YUMQZZPRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.95
Topological Polar Surface Area 40.46
Polarizability 16.7
Ring Count 0
Rotatable Bond Count 5

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