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Home > Other Heterocycles > 89570-95-6
89570-95-6 | Bicyclo[2.2.1]heptan-2-one, 4-methoxy-
CAS No: 89570-95-6 Catalog No: AG003XXI MDL No:
Product Description
Catalog Number:
AG003XXI
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 4-methoxy-
CAS Number:
89570-95-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
4-methoxybicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C8H12O2/c1-10-8-3-2-6(4-8)7(9)5-8/h6H,2-5H2,1H3
InChI Key:
NXIULWVTTWBQGI-UHFFFAOYSA-N
SMILES:
COC12CCC(C2)C(=O)C1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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