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828295-29-0 | 3-Isoxazolecarboxamide, N-[(1S)-1-formyl-3-methylbutyl]-5-methyl-
CAS No: 828295-29-0 Catalog No: AG008I5Q MDL No:
Product Description
Catalog Number:
AG008I5Q
Chemical Name:
3-Isoxazolecarboxamide, N-[(1S)-1-formyl-3-methylbutyl]-5-methyl-
CAS Number:
828295-29-0
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
5-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C11H16N2O3/c1-7(2)4-9(6-14)12-11(15)10-5-8(3)16-13-10/h5-7,9H,4H2,1-3H3,(H,12,15)/t9-/m0/s1
InChI Key:
RWACBGZUORAYQM-VIFPVBQESA-N
SMILES:
O=C[C@@H](NC(=O)c1noc(c1)C)CC(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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