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Home > Other Heterocycles > 68913-17-7
68913-17-7 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-methyl-
CAS No: 68913-17-7 Catalog No: AG005N61 MDL No:MFCD24689114
Product Description
Catalog Number:
AG005N61
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-methyl-
CAS Number:
68913-17-7
Molecular Formula:
C9H8O
Molecular Weight:
132.1592
MDL Number:
MFCD24689114
IUPAC Name:
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
InChI:
InChI=1S/C9H8O/c1-6-7-4-2-3-5-8(7)9(6)10/h2-6H,1H3
InChI Key:
NASKFLAPVWUAGV-UHFFFAOYSA-N
SMILES:
O=C1C(C)c2c1cccc2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.162g/mol
Monoisotopic Mass:
132.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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