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23088-52-0 | 3-Isoxazolecarboxamide, 5-phenyl-
CAS No: 23088-52-0 Catalog No: AG002M5R MDL No:MFCD00464227
Product Description
Catalog Number:
AG002M5R
Chemical Name:
3-Isoxazolecarboxamide, 5-phenyl-
CAS Number:
23088-52-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00464227
IUPAC Name:
5-phenyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C10H8N2O2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChI Key:
ASVXNFGUPSDDTA-UHFFFAOYSA-N
SMILES:
NC(=O)c1noc(c1)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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