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pentane-2,3-diol

pentane-2,3-diol

CAS: 42027-23-6

Formula: C5H12O2

SMILES: CCC(O)C(C)O

IUPAC: pentane-2,3-diol

InChI: InChI=1/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3

Composition: C (57.66%), H (11.61%), O (30.72%)

Molar Mass: 104.149

Atom Count: 19

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 104.083729626
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XLMFDCKSFJWJTP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.92
Topological Polar Surface Area 40.46
Polarizability 11.19
Ring Count 0
Rotatable Bond Count 2

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