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25047-11-4 | 9-Oxatricyclo[4.3.0.02,8]nonane (8CI,9CI)
CAS No: 25047-11-4 Catalog No: AG002QAC MDL No:
Product Description
Catalog Number:
AG002QAC
Chemical Name:
9-Oxatricyclo[4.3.0.02,8]nonane (8CI,9CI)
CAS Number:
25047-11-4
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
9-oxatricyclo[4.3.0.02,8]nonane
InChI:
InChI=1S/C8H12O/c1-2-5-4-7-6(3-1)8(5)9-7/h5-8H,1-4H2
InChI Key:
ZBYRPYVAJJMOFC-UHFFFAOYSA-N
SMILES:
C1CC2CC3C(C1)C2O3
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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