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Home > Other Heterocycles > 54922-90-6
54922-90-6 | 5,5-dimethyl-1-oxaspiro[2.3]hexane
CAS No: 54922-90-6 Catalog No: AG01EK1D MDL No:
Product Description
Catalog Number:
AG01EK1D
Chemical Name:
5,5-dimethyl-1-oxaspiro[2.3]hexane
CAS Number:
54922-90-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
5,5-dimethyl-1-oxaspiro[2.3]hexane
InChI:
InChI=1S/C7H12O/c1-6(2)3-7(4-6)5-8-7/h3-5H2,1-2H3
InChI Key:
NGLJGZDHFARIII-UHFFFAOYSA-N
SMILES:
CC1(C)CC2(C1)CO2
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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