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775537-61-6 | Methanone,1-aziridinyl-5-isoxazolyl-
CAS No: 775537-61-6 Catalog No: AG008OVM MDL No:
Product Description
Catalog Number:
AG008OVM
Chemical Name:
Methanone,1-aziridinyl-5-isoxazolyl-
CAS Number:
775537-61-6
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
aziridin-1-yl(1,2-oxazol-5-yl)methanone
InChI:
InChI=1S/C6H6N2O2/c9-6(8-3-4-8)5-1-2-7-10-5/h1-2H,3-4H2
InChI Key:
SEELOICJZHYERG-UHFFFAOYSA-N
SMILES:
O=C(c1ccno1)N1CC1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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