1-Propyne, 3,3'-oxybis-


Chemical Name: 1-Propyne, 3,3'-oxybis-
CAS Number: 6921-27-3
Product Number: AG005KKX(AGN-PC-0JKH02)
Synonyms:
MDL No:
Molecular Formula: C6H6O
Molecular Weight: 94.1112

Identification/Properties


Properties
BP:
55-57 °C65 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.442(lit.)
Computed Properties
Molecular Weight:
94.113g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
94.042g/mol
Monoisotopic Mass:
94.042g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
102
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#:
3271
Hazard Statements:
H302-H226
Precautionary Statements:
P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P312+P330-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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