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89851-83-2 | 3(2H)-Isoxazolone,5-amino-4-(1-methylpropyl)-
CAS No: 89851-83-2 Catalog No: AG003WRW MDL No:
Product Description
Catalog Number:
AG003WRW
Chemical Name:
3(2H)-Isoxazolone,5-amino-4-(1-methylpropyl)-
CAS Number:
89851-83-2
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
IUPAC Name:
5-amino-4-butan-2-yl-1,2-oxazol-3-one
InChI:
InChI=1S/C7H12N2O2/c1-3-4(2)5-6(8)11-9-7(5)10/h4H,3,8H2,1-2H3,(H,9,10)
InChI Key:
CSCRXLVOVGRHJE-UHFFFAOYSA-N
SMILES:
CC(c1c(N)o[nH]c1=O)CC
NSC Number:
58895
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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