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Home > Other Heterocycles > 92012-03-8
92012-03-8 | 2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-6-methanol, 3-benzoyl-
CAS No: 92012-03-8 Catalog No: AG006FKI MDL No:
Product Description
Catalog Number:
AG006FKI
Chemical Name:
2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-6-methanol, 3-benzoyl-
CAS Number:
92012-03-8
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
[6-(hydroxymethyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl]-phenylmethanone
InChI:
InChI=1S/C14H15NO3/c16-9-11-8-12-6-7-13(11)18-15(12)14(17)10-4-2-1-3-5-10/h1-5,8,12-13,16H,6-7,9H2
InChI Key:
JYVNMWZJJNHKOL-UHFFFAOYSA-N
SMILES:
OCC1=CC2CCC1ON2C(=O)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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