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Home > Other Heterocycles > 139079-79-1
139079-79-1 | Bicyclo[3.1.0]hex-3-en-2-one, 4-methoxy-3-methyl-
CAS No: 139079-79-1 Catalog No: AG001A59 MDL No:
Product Description
Catalog Number:
AG001A59
Chemical Name:
Bicyclo[3.1.0]hex-3-en-2-one, 4-methoxy-3-methyl-
CAS Number:
139079-79-1
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
4-methoxy-3-methylbicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C8H10O2/c1-4-7(9)5-3-6(5)8(4)10-2/h5-6H,3H2,1-2H3
InChI Key:
PRUDGTXCLAKNOW-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)C2C1C2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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