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250-19-1 | 4-Oxatricyclo[4.3.0.02,8]nonane (8CI,9CI)
CAS No: 250-19-1 Catalog No: AG002Q5J MDL No:
Product Description
Catalog Number:
AG002Q5J
Chemical Name:
4-Oxatricyclo[4.3.0.02,8]nonane (8CI,9CI)
CAS Number:
250-19-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
4-oxatricyclo[4.3.0.02,8]nonane
InChI:
InChI=1S/C8H12O/c1-5-2-7-6(1)3-9-4-8(5)7/h5-8H,1-4H2
InChI Key:
IPZDEYMAJJUUFQ-UHFFFAOYSA-N
SMILES:
O1CC2CC3C(C1)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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