3-Butyn-2-ol, (2S)-


Chemical Name: 3-Butyn-2-ol, (2S)-
CAS Number: 2914-69-4
Product Number: AG002XGV(AGN-PC-0O8ND9)
Synonyms:
MDL No:
Molecular Formula: C4H6O
Molecular Weight: 70.0898

Identification/Properties


Properties
MP:
-22.07°C (estimate)
BP:
104°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.426(lit.)
Computed Properties
Molecular Weight:
70.091g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
70.042g/mol
Monoisotopic Mass:
70.042g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
57.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2929
Hazard Statements:
H226-H300-H310-H315-H317-H319-H330
Precautionary Statements:
P260-P264-P280-P284-P301+P310-P302+P350
Class:
6.1,3
Packing Group:

NMR Spectrum


Other Analytical Data


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