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1192-31-0 | Oxirane, 2-methyl-3-(1-methylethyl)-
CAS No: 1192-31-0 Catalog No: AG000ICP MDL No:
Product Description
Catalog Number:
AG000ICP
Chemical Name:
Oxirane, 2-methyl-3-(1-methylethyl)-
CAS Number:
1192-31-0
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
IUPAC Name:
2-methyl-3-propan-2-yloxirane
InChI:
InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3
InChI Key:
AYTCGOOJNRZGBU-UHFFFAOYSA-N
SMILES:
CC(C1OC1C)C
Properties
Complexity:
68.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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