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18336-75-9 | 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, hydrazide
CAS No: 18336-75-9 Catalog No: AG0027IU MDL No:MFCD00119108
Product Description
Catalog Number:
AG0027IU
Chemical Name:
4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, hydrazide
CAS Number:
18336-75-9
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD00119108
IUPAC Name:
5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
InChI:
InChI=1S/C11H11N3O2/c1-7-9(11(15)13-12)10(14-16-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,15)
InChI Key:
NVDQWXGHTJREBS-UHFFFAOYSA-N
SMILES:
NNC(=O)c1c(C)onc1c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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