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651737-80-3 | 1-Azabicyclo[2.2.1]heptane, 2-[(2Z)-3-(5-isoxazolyl)-2-propenyl]-
CAS No: 651737-80-3 Catalog No: AG00H82H MDL No:
Product Description
Catalog Number:
AG00H82H
Chemical Name:
1-Azabicyclo[2.2.1]heptane, 2-[(2Z)-3-(5-isoxazolyl)-2-propenyl]-
CAS Number:
651737-80-3
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
5-[3-(1-azabicyclo[2.2.1]heptan-2-yl)prop-1-enyl]-1,2-oxazole
InChI:
InChI=1S/C12H16N2O/c1(3-12-4-6-13-15-12)2-11-8-10-5-7-14(11)9-10/h1,3-4,6,10-11H,2,5,7-9H2
InChI Key:
HFJXVMOORUSCPN-UHFFFAOYSA-N
SMILES:
C(=C\c1ccno1)\CC1CC2CN1CC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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