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Home > Other Heterocycles > 66947-60-2
66947-60-2 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5-methoxy-
CAS No: 66947-60-2 Catalog No: AG00IBNT MDL No:MFCD01652352
Product Description
Catalog Number:
AG00IBNT
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5-methoxy-
CAS Number:
66947-60-2
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD01652352
IUPAC Name:
5-methoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C9H8O2/c1-11-8-4-2-3-6-5-7(10)9(6)8/h2-4H,5H2,1H3
InChI Key:
RBEPUKMEVUHMAR-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)C2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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