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Home > Other Heterocycles > 112929-71-2
112929-71-2 | Bicyclo[3.2.1]oct-6-en-2-one, 3,3-dimethyl-
CAS No: 112929-71-2 Catalog No: AG0078IP MDL No:MFCD24736835
Product Description
Catalog Number:
AG0078IP
Chemical Name:
Bicyclo[3.2.1]oct-6-en-2-one, 3,3-dimethyl-
CAS Number:
112929-71-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD24736835
IUPAC Name:
3,3-dimethylbicyclo[3.2.1]oct-6-en-2-one
InChI:
InChI=1S/C10H14O/c1-10(2)6-7-3-4-8(5-7)9(10)11/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
XJJGGVDZLKIKKS-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC(C2)CC1(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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