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277-84-9 | 3,9-Dioxatricyclo[6.1.0.02,4]nonane (8CI,9CI)
CAS No: 277-84-9 Catalog No: AG002UIP MDL No:
Product Description
Catalog Number:
AG002UIP
Chemical Name:
3,9-Dioxatricyclo[6.1.0.02,4]nonane (8CI,9CI)
CAS Number:
277-84-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
3,9-dioxatricyclo[6.1.0.02,4]nonane
InChI:
InChI=1S/C7H10O2/c1-2-4-6(8-4)7-5(3-1)9-7/h4-7H,1-3H2
InChI Key:
NKUNQPWBLJDLMC-UHFFFAOYSA-N
SMILES:
C1CC2OC2C2C(C1)O2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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