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Home > Other Heterocycles > 128525-51-9
128525-51-9 | Bicyclo[2.2.1]heptane, 2,2-dimethoxy-1,7,7-trimethyl-, (1S,4S)-
CAS No: 128525-51-9 Catalog No: AG000Y57 MDL No:
Product Description
Catalog Number:
AG000Y57
Chemical Name:
Bicyclo[2.2.1]heptane, 2,2-dimethoxy-1,7,7-trimethyl-, (1S,4S)-
CAS Number:
128525-51-9
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
2,2-dimethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C12H22O2/c1-10(2)9-6-7-11(10,3)12(8-9,13-4)14-5/h9H,6-8H2,1-5H3
InChI Key:
RRCYFCPKYNYACP-UHFFFAOYSA-N
SMILES:
COC1(OC)C[C@H]2C([C@]1(C)CC2)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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