CCCC(C#C)O
CAS: 105-31-7
Nombre: hex-1-yn-3-ol
SMILES: CCCC(C#C)O

Molecular Processing

Molecular formula
C6H10O
Molecular weight
98.14
Exact mass
98.0732
XLogP
0.78
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
29.75

Supplementary Information

InChIKey: LTFTWJYRQNTCHI-UHFFFAOYSA-N
Sinónimos
1-HEXYN-3-OLhex-1-yn-3-olPropylethinylcarbinol1-Hexyne-3-ol1-Propylpropargyl alcohol3-Hydroxy-1-hexyneDTXSID4051536R9B2WH0KBLEINECS 203-286-7NSC 244896BRN 1739419AI3-25134NSC-244896(RS)-1-HEXYN-3-OLDTXCID50300884-01-00-02234 (Beilstein Handbook Reference)RefChem:869848(+-)-1-HEXYN-3-OL(+-)-3-HYDROXYHEX-1-YNE203-286-7105-31-7MFCD000144081-hexine-3-olNSC244896UNII-R9B2WH0KBLSCHEMBL126303SCHEMBL131343SCHEMBL235075SCHEMBL718230Tox21_303791
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