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651313-96-1 | 1H-Pyrrolizine, hexahydro-7a-(5-isoxazolylethynyl)-
CAS No: 651313-96-1 Catalog No: AG006R2Y MDL No:
Product Description
Catalog Number:
AG006R2Y
Chemical Name:
1H-Pyrrolizine, hexahydro-7a-(5-isoxazolylethynyl)-
CAS Number:
651313-96-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
5-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethynyl]-1,2-oxazole
InChI:
InChI=1S/C12H14N2O/c1-5-12(6-2-10-14(12)9-1)7-3-11-4-8-13-15-11/h4,8H,1-2,5-6,9-10H2
InChI Key:
DRFFGJGPMOYBKT-UHFFFAOYSA-N
SMILES:
C1CN2C(C1)(CCC2)C#Cc1ccno1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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