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89489-28-1 | TERT-BUTOXYACETYLENE
CAS No: 89489-28-1 Catalog No: AG0041WF MDL No:
Product Description
Catalog Number:
AG0041WF
Chemical Name:
TERT-BUTOXYACETYLENE
CAS Number:
89489-28-1
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
IUPAC Name:
2-ethynoxy-2-methylpropane
InChI:
InChI=1S/C6H10O/c1-5-7-6(2,3)4/h1H,2-4H3
InChI Key:
POYDIZHDEOYYAN-UHFFFAOYSA-N
SMILES:
C#COC(C)(C)C
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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