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21561-41-1 | Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)-
CAS No: 21561-41-1 Catalog No: AG0070N6 MDL No:
Product Description
Catalog Number:
AG0070N6
Chemical Name:
Methanone,1-aziridinyl(5-methyl-3-isoxazolyl)-
CAS Number:
21561-41-1
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
aziridin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
InChI:
InChI=1S/C7H8N2O2/c1-5-4-6(8-11-5)7(10)9-2-3-9/h4H,2-3H2,1H3
InChI Key:
POHBKYQPFADMSG-UHFFFAOYSA-N
SMILES:
O=C(c1noc(c1)C)N1CC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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