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Home > Other Heterocycles > 827337-18-8
827337-18-8 | Methanone, (1S,3R,4R)-2-oxabicyclo[2.2.2]oct-5-en-3-ylphenyl-
CAS No: 827337-18-8 Catalog No: AG00586I MDL No:
Product Description
Catalog Number:
AG00586I
Chemical Name:
Methanone, (1S,3R,4R)-2-oxabicyclo[2.2.2]oct-5-en-3-ylphenyl-
CAS Number:
827337-18-8
Molecular Formula:
C14H14O2
Molecular Weight:
214.2598
IUPAC Name:
[(1S,3R,4R)-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-phenylmethanone
InChI:
InChI=1S/C14H14O2/c15-13(10-4-2-1-3-5-10)14-11-6-8-12(16-14)9-7-11/h1-6,8,11-12,14H,7,9H2/t11-,12+,14+/m0/s1
InChI Key:
PGNWZISISIOBOW-OUCADQQQSA-N
SMILES:
O=C(c1ccccc1)[C@@H]1O[C@H]2CC[C@@H]1C=C2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.264g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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