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Home > Other Heterocycles > 88418-22-8
88418-22-8 | Bicyclo[2.2.1]hept-2-en-7-one, 2,3-dimethyl-
CAS No: 88418-22-8 Catalog No: AG004KN0 MDL No:
Product Description
Catalog Number:
AG004KN0
Chemical Name:
Bicyclo[2.2.1]hept-2-en-7-one, 2,3-dimethyl-
CAS Number:
88418-22-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
2,3-dimethylbicyclo[2.2.1]hept-2-en-7-one
InChI:
InChI=1S/C9H12O/c1-5-6(2)8-4-3-7(5)9(8)10/h7-8H,3-4H2,1-2H3
InChI Key:
FDLFBWDBPXLHON-UHFFFAOYSA-N
SMILES:
O=C1C2CCC1C(=C2C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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