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286-59-9 | 4-Oxatricyclo[5.2.0.03,5]nonane (7CI,8CI,9CI)
CAS No: 286-59-9 Catalog No: AG002VTP MDL No:
Product Description
Catalog Number:
AG002VTP
Chemical Name:
4-Oxatricyclo[5.2.0.03,5]nonane (7CI,8CI,9CI)
CAS Number:
286-59-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
4-oxatricyclo[5.2.0.03,5]nonane
InChI:
InChI=1S/C8H12O/c1-2-6-4-8-7(9-8)3-5(1)6/h5-8H,1-4H2
InChI Key:
RRUHFBZLRWSYNJ-UHFFFAOYSA-N
SMILES:
C1CC2C1CC1C(C2)O1
NSC Number:
176917
Properties
Complexity:
128
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:
12.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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