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hept-4-yn-2-ol

hept-4-yn-2-ol

CAS: 19781-81-8

Formula: C7H12O

SMILES: CCC#CCC(C)O

IUPAC: hept-4-yn-2-ol

InChI: InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3

Composition: C (74.95%), H (10.78%), O (14.26%)

Molar Mass: 112.172

Atom Count: 20

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 112.088815006
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CXVIEBMEWKSONY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.12
Topological Polar Surface Area 20.23
Polarizability 13.14
Ring Count 0
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <14 Days 19781-81-8 Quote Only