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828295-25-6 | 3-Isoxazolecarboxamide, N-[(1S)-1-formyl-2-methylpropyl]-5-methyl-
CAS No: 828295-25-6 Catalog No: AG004SMN MDL No:
Product Description
Catalog Number:
AG004SMN
Chemical Name:
3-Isoxazolecarboxamide, N-[(1S)-1-formyl-2-methylpropyl]-5-methyl-
CAS Number:
828295-25-6
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
IUPAC Name:
5-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C10H14N2O3/c1-6(2)9(5-13)11-10(14)8-4-7(3)15-12-8/h4-6,9H,1-3H3,(H,11,14)/t9-/m1/s1
InChI Key:
BIKPHWQRXYBYNX-SECBINFHSA-N
SMILES:
O=C[C@H](C(C)C)NC(=O)c1noc(c1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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