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Home > Other Heterocycles > 10218-04-9
10218-04-9 | Bicyclo[2.2.1]heptan-2-one, 1-methyl-
CAS No: 10218-04-9 Catalog No: AG0006TJ MDL No:
Product Description
Catalog Number:
AG0006TJ
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1-methyl-
CAS Number:
10218-04-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
1-methylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C8H12O/c1-8-3-2-6(5-8)4-7(8)9/h6H,2-5H2,1H3
InChI Key:
ZYVCBPCUGIGFJA-UHFFFAOYSA-N
SMILES:
O=C1CC2CC1(C)CC2
Properties
Complexity:
162
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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