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277-61-2 | Pentaleno[1,2-b]oxirene (9CI)
CAS No: 277-61-2 Catalog No: AG002UIR MDL No:
Product Description
Catalog Number:
AG002UIR
Chemical Name:
Pentaleno[1,2-b]oxirene (9CI)
CAS Number:
277-61-2
Molecular Formula:
C8H4O
Molecular Weight:
116.1168
IUPAC Name:
3-oxatricyclo[4.3.0.02,4]non-2(4)-ene
InChI:
InChI=1S/C8H10O/c1-2-5-4-7-8(9-7)6(5)3-1/h5-6H,1-4H2
InChI Key:
GVNOSYMSKYVQDJ-UHFFFAOYSA-N
SMILES:
c1cc2c(c1)c1c(c2)o1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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