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210641-15-9 | 3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-methyl-
CAS No: 210641-15-9 Catalog No: AG002KWR MDL No:MFCD11656599
Product Description
Catalog Number:
AG002KWR
Chemical Name:
3-Isoxazolecarboxamide, 5-(hydroxymethyl)-N-methyl-
CAS Number:
210641-15-9
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD11656599
IUPAC Name:
5-(hydroxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C6H8N2O3/c1-7-6(10)5-2-4(3-9)11-8-5/h2,9H,3H2,1H3,(H,7,10)
InChI Key:
NUNULGLALWOMKB-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(on1)CO
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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