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688051-07-2 | N-(3-Hydroxyphenyl)-5-methylisoxazole-3-carboxamide
CAS No: 688051-07-2 Catalog No: AG0061AG MDL No:MFCD08691757
Product Description
Catalog Number:
AG0061AG
Chemical Name:
N-(3-Hydroxyphenyl)-5-methylisoxazole-3-carboxamide
CAS Number:
688051-07-2
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD08691757
IUPAC Name:
N-(3-hydroxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C11H10N2O3/c1-7-5-10(13-16-7)11(15)12-8-3-2-4-9(14)6-8/h2-6,14H,1H3,(H,12,15)
InChI Key:
GEFKRASWMFTFSQ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)NC(=O)c1noc(c1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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