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Home > Other Heterocycles > 50896-19-0
50896-19-0 | Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl-, (R)-
CAS No: 50896-19-0 Catalog No: AG006VKH MDL No:
Product Description
Catalog Number:
AG006VKH
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl-, (R)-
CAS Number:
50896-19-0
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
(1R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1
InChI Key:
ZYPYEBYNXWUCEA-ULUSZKPHSA-N
SMILES:
O=C1[C@@H]2CCC(C1(C)C)C2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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