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250-20-4 | 3-Oxatricyclo[4.3.0.02,8]nonane (8CI,9CI)
CAS No: 250-20-4 Catalog No: AG002Q5I MDL No:
Product Description
Catalog Number:
AG002Q5I
Chemical Name:
3-Oxatricyclo[4.3.0.02,8]nonane (8CI,9CI)
CAS Number:
250-20-4
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
3-oxatricyclo[4.3.0.02,8]nonane
InChI:
InChI=1S/C8H12O/c1-2-9-8-6-3-5(1)7(8)4-6/h5-8H,1-4H2
InChI Key:
XTIYTVPATCGRPX-UHFFFAOYSA-N
SMILES:
C1CC2CC3C(O1)C2C3
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:
1.3
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