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Home > Other Heterocycles > 39799-12-7
39799-12-7 | Bicyclo[3.1.1]hept-3-en-2-one
CAS No: 39799-12-7 Catalog No: AG007783 MDL No:
Product Description
Catalog Number:
AG007783
Chemical Name:
Bicyclo[3.1.1]hept-3-en-2-one
CAS Number:
39799-12-7
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
bicyclo[3.1.1]hept-3-en-2-one
InChI:
InChI=1S/C7H8O/c8-7-2-1-5-3-6(7)4-5/h1-2,5-6H,3-4H2
InChI Key:
XHBHHEUCDDSMHQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2CC1C2
Properties
Complexity:
152
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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