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1602-05-7 | Oxirane, 2-methyl-2-(3-methyl-1-butyn-1-yl)-
CAS No: 1602-05-7 Catalog No: AG001RRI MDL No:
Product Description
Catalog Number:
AG001RRI
Chemical Name:
Oxirane, 2-methyl-2-(3-methyl-1-butyn-1-yl)-
CAS Number:
1602-05-7
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
2-methyl-2-(3-methylbut-1-ynyl)oxirane
InChI:
InChI=1S/C8H12O/c1-7(2)4-5-8(3)6-9-8/h7H,6H2,1-3H3
InChI Key:
VEDKMMUKQXMJEG-UHFFFAOYSA-N
SMILES:
CC(C#CC1(C)CO1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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