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Home > Other Heterocycles > 126889-61-0
126889-61-0 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 3-methyl-
CAS No: 126889-61-0 Catalog No: AG000TFD MDL No:
Product Description
Catalog Number:
AG000TFD
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 3-methyl-
CAS Number:
126889-61-0
Molecular Formula:
C9H8O
Molecular Weight:
132.1592
IUPAC Name:
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C9H8O/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4H,5H2,1H3
InChI Key:
HUOFKGGCNLSHMK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CC2=O
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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