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Home > Other Heterocycles > 20454-81-3
20454-81-3 | Bicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS No: 20454-81-3 Catalog No: AG0029KA MDL No:
Product Description
Catalog Number:
AG0029KA
Chemical Name:
Bicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS Number:
20454-81-3
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
1,4-dimethylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C9H16/c1-8-3-5-9(2,7-8)6-4-8/h3-7H2,1-2H3
InChI Key:
VOVKYFRBXIHZAA-UHFFFAOYSA-N
SMILES:
CC12CCC(C2)(CC1)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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