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113952-28-6 | Oxirane, 2-methyl-2-(2-propyn-1-yloxy)-
CAS No: 113952-28-6 Catalog No: AG000A50 MDL No:
Product Description
Catalog Number:
AG000A50
Chemical Name:
Oxirane, 2-methyl-2-(2-propyn-1-yloxy)-
CAS Number:
113952-28-6
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
2-methyl-2-prop-2-ynoxyoxirane
InChI:
InChI=1S/C6H8O2/c1-3-4-7-6(2)5-8-6/h1H,4-5H2,2H3
InChI Key:
NAKWAFPFJWDABC-UHFFFAOYSA-N
SMILES:
CC1(CO1)OCC#C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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