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Home > Other Heterocycles > 19077-73-7
19077-73-7 | 2,3,7-Trioxabicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS No: 19077-73-7 Catalog No: AG002ESU MDL No:
Product Description
Catalog Number:
AG002ESU
Chemical Name:
2,3,7-Trioxabicyclo[2.2.1]heptane, 1,4-dimethyl-
CAS Number:
19077-73-7
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
1,4-dimethyl-2,3,7-trioxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C6H10O3/c1-5-3-4-6(2,7-5)9-8-5/h3-4H2,1-2H3
InChI Key:
SRXBXRUSSXXHKB-UHFFFAOYSA-N
SMILES:
CC12CCC(O2)(OO1)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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