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Home > Other Heterocycles > 19987-14-5
19987-14-5 | 6,7,8-Trioxabicyclo[3.2.1]octane, 1,5-dimethyl-
CAS No: 19987-14-5 Catalog No: AG002CFE MDL No:
Product Description
Catalog Number:
AG002CFE
Chemical Name:
6,7,8-Trioxabicyclo[3.2.1]octane, 1,5-dimethyl-
CAS Number:
19987-14-5
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C7H12O3/c1-6-4-3-5-7(2,8-6)10-9-6/h3-5H2,1-2H3
InChI Key:
SABQSIQGHDNFLT-UHFFFAOYSA-N
SMILES:
CC12CCCC(O2)(OO1)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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