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651314-06-6 | 1-Azabicyclo[3.2.0]heptane, 5-[(1E)-2-(5-isoxazolyl)ethenyl]-
CAS No: 651314-06-6 Catalog No: AG006R2U MDL No:
Product Description
Catalog Number:
AG006R2U
Chemical Name:
1-Azabicyclo[3.2.0]heptane, 5-[(1E)-2-(5-isoxazolyl)ethenyl]-
CAS Number:
651314-06-6
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
5-[2-(1-azabicyclo[3.2.0]heptan-5-yl)ethenyl]-1,2-oxazole
InChI:
InChI=1S/C11H14N2O/c1-4-11(6-9-13(11)8-1)5-2-10-3-7-12-14-10/h2-3,5,7H,1,4,6,8-9H2
InChI Key:
VBMORRQQYHASGI-UHFFFAOYSA-N
SMILES:
c1noc(c1)/C=C/C12CCCN2CC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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