1-Propyne, 3,3-diethoxy-


Chemical Name: 1-Propyne, 3,3-diethoxy-
CAS Number: 10160-87-9
Product Number: AG0004XO(AGN-PC-0JL73G)
Synonyms:
MDL No: MFCD00009237
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Properties
BP:
139°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.412(lit.)
Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
94.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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#:
1993
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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