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24760-21-2 | Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-
CAS No: 24760-21-2 Catalog No: AG002PDK MDL No:
Product Description
Catalog Number:
AG002PDK
Chemical Name:
Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-
CAS Number:
24760-21-2
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
4-methylbicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C7H8O/c1-4-2-7(8)6-3-5(4)6/h2,5-6H,3H2,1H3
InChI Key:
MRTSKCQGUJYFIH-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C2C1C2
Properties
Complexity:
179
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:
0.4
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