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Home > Other Heterocycles > 89896-78-6
89896-78-6 | 7-Oxabicyclo[2.2.1]heptane, 2-methyl-
CAS No: 89896-78-6 Catalog No: AG006OVV MDL No:
Product Description
Catalog Number:
AG006OVV
Chemical Name:
7-Oxabicyclo[2.2.1]heptane, 2-methyl-
CAS Number:
89896-78-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
2-methyl-7-oxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C7H12O/c1-5-4-6-2-3-7(5)8-6/h5-7H,2-4H2,1H3
InChI Key:
YSPMLGNTRGMJLE-UHFFFAOYSA-N
SMILES:
CC1CC2OC1CC2
Properties
Complexity:
101
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:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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