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277-26-9 | Benzo[3,4]cyclooct[1,2-b]oxirene (9CI)
CAS No: 277-26-9 Catalog No: AG002UIT MDL No:
Product Description
Catalog Number:
AG002UIT
Chemical Name:
Benzo[3,4]cyclooct[1,2-b]oxirene (9CI)
CAS Number:
277-26-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
3-oxatricyclo[7.4.0.02,4]tridec-2(4)-ene
InChI:
InChI=1S/C12H18O/c1-3-7-10-9(5-1)6-2-4-8-11-12(10)13-11/h9-10H,1-8H2
InChI Key:
HQMDUUCVWJLZBW-UHFFFAOYSA-N
SMILES:
c1ccc2=c(c3c(c1)cccc3)o2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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