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651314-73-7 | Isoxazole, 5-[3-(2-pyrrolidinyl)-1-propynyl]-
CAS No: 651314-73-7 Catalog No: AG006QX6 MDL No:
Product Description
Catalog Number:
AG006QX6
Chemical Name:
Isoxazole, 5-[3-(2-pyrrolidinyl)-1-propynyl]-
CAS Number:
651314-73-7
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
5-(3-pyrrolidin-2-ylprop-1-ynyl)-1,2-oxazole
InChI:
InChI=1S/C10H12N2O/c1(3-9-4-2-7-11-9)5-10-6-8-12-13-10/h6,8-9,11H,2-4,7H2
InChI Key:
GGMRHLNABFMDIP-UHFFFAOYSA-N
SMILES:
C1CNC(C1)CC#Cc1ccno1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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