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98239-65-7 | 5-(pyrrolidin-1-ylcarbonyl)isoxazole
CAS No: 98239-65-7 Catalog No: AG01DE3D MDL No:MFCD09965497
Product Description
Catalog Number:
AG01DE3D
Chemical Name:
5-(pyrrolidin-1-ylcarbonyl)isoxazole
CAS Number:
98239-65-7
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD09965497
IUPAC Name:
1,2-oxazol-5-yl(pyrrolidin-1-yl)methanone
InChI:
InChI=1S/C8H10N2O2/c11-8(7-3-4-9-12-7)10-5-1-2-6-10/h3-4H,1-2,5-6H2
InChI Key:
IMRDYFCTMOHUIA-UHFFFAOYSA-N
SMILES:
O=C(c1ccno1)N1CCCC1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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