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Home > Other Heterocycles > 27694-11-7
27694-11-7 | Bicyclo[2.2.1]heptan-2-one, 1-hydroxy-3,3-dimethyl-
CAS No: 27694-11-7 Catalog No: AG002UI1 MDL No:
Product Description
Catalog Number:
AG002UI1
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1-hydroxy-3,3-dimethyl-
CAS Number:
27694-11-7
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
1-hydroxy-3,3-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H14O2/c1-8(2)6-3-4-9(11,5-6)7(8)10/h6,11H,3-5H2,1-2H3
InChI Key:
TWNAIGXHWABTTR-UHFFFAOYSA-N
SMILES:
O=C1C2(O)CCC(C1(C)C)C2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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