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277-86-1 | 3,10-Dioxatricyclo[7.1.0.02,4]decane
CAS No: 277-86-1 Catalog No: AG002UIO MDL No:
Product Description
Catalog Number:
AG002UIO
Chemical Name:
3,10-Dioxatricyclo[7.1.0.02,4]decane
CAS Number:
277-86-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3,10-dioxatricyclo[7.1.0.02,4]decane
InChI:
InChI=1S/C8H12O2/c1-2-4-6-8(10-6)7-5(3-1)9-7/h5-8H,1-4H2
InChI Key:
UXDSDMAEAMBXSS-UHFFFAOYSA-N
SMILES:
C1CCC2OC2C2C(C1)O2
Properties
Complexity:
139
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:
0
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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