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Home > Other Heterocycles > 88653-52-5
88653-52-5 | Bicyclo[2.2.1]heptan-2-one, 4-methoxy-1,7,7-trimethyl-
CAS No: 88653-52-5 Catalog No: AG0048XO MDL No:
Product Description
Catalog Number:
AG0048XO
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 4-methoxy-1,7,7-trimethyl-
CAS Number:
88653-52-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
4-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C11H18O2/c1-9(2)10(3)5-6-11(9,13-4)7-8(10)12/h5-7H2,1-4H3
InChI Key:
OMSCLXZYTCFKNY-UHFFFAOYSA-N
SMILES:
COC12CCC(C2(C)C)(C(=O)C1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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