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Home > Other Heterocycles > 93175-57-6
93175-57-6 | Bicyclo[2.2.1]heptan-2-one, 3-(2,2-dimethylpropyl)-
CAS No: 93175-57-6 Catalog No: AG0065M0 MDL No:
Product Description
Catalog Number:
AG0065M0
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-(2,2-dimethylpropyl)-
CAS Number:
93175-57-6
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
3-(2,2-dimethylpropyl)bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C12H20O/c1-12(2,3)7-10-8-4-5-9(6-8)11(10)13/h8-10H,4-7H2,1-3H3
InChI Key:
RAMRLZYWUDLWNU-UHFFFAOYSA-N
SMILES:
O=C1C2CCC(C1CC(C)(C)C)C2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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