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Home > Other Heterocycles > 832111-08-7
832111-08-7 | 11-Oxabicyclo[4.4.1]undeca-1,3,5-triene
CAS No: 832111-08-7 Catalog No: AG004ZCU MDL No:
Product Description
Catalog Number:
AG004ZCU
Chemical Name:
11-Oxabicyclo[4.4.1]undeca-1,3,5-triene
CAS Number:
832111-08-7
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
11-oxabicyclo[4.4.1]undeca-1,3,5-triene
InChI:
InChI=1S/C10H12O/c1-2-6-10-8-4-3-7-9(5-1)11-10/h1-2,5-6H,3-4,7-8H2
InChI Key:
KIUNVVUOANJDGS-UHFFFAOYSA-N
SMILES:
C1CCC2=CC=CC=C(C1)O2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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