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Home > Other Heterocycles > 694-71-3
694-71-3 | Bicyclo[2.2.1]hept-2-en-7-one
CAS No: 694-71-3 Catalog No: AG005LU1 MDL No:
Product Description
Catalog Number:
AG005LU1
Chemical Name:
Bicyclo[2.2.1]hept-2-en-7-one
CAS Number:
694-71-3
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
bicyclo[2.2.1]hept-2-en-7-one
InChI:
InChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2
InChI Key:
MFJNQSKGBMOIDF-UHFFFAOYSA-N
SMILES:
O=C1C2CCC1C=C2
NSC Number:
143945
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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