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Home > Other Heterocycles > 89243-98-1
89243-98-1 | Bicyclo[2.2.1]heptan-7-one, 1-methyl-
CAS No: 89243-98-1 Catalog No: AG00448N MDL No:
Product Description
Catalog Number:
AG00448N
Chemical Name:
Bicyclo[2.2.1]heptan-7-one, 1-methyl-
CAS Number:
89243-98-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
1-methylbicyclo[2.2.1]heptan-7-one
InChI:
InChI=1S/C8H12O/c1-8-4-2-6(3-5-8)7(8)9/h6H,2-5H2,1H3
InChI Key:
RYAJUPBNAKZZAK-UHFFFAOYSA-N
SMILES:
O=C1C2CCC1(C)CC2
Properties
Complexity:
152
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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