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893638-41-0 | 5-(Pyridin-4-yl)isoxazole-3-carboxylic acid
CAS No: 893638-41-0 Catalog No: AG003M6D MDL No:MFCD07377115
Product Description
Catalog Number:
AG003M6D
Chemical Name:
5-(Pyridin-4-yl)isoxazole-3-carboxylic acid
CAS Number:
893638-41-0
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD07377115
IUPAC Name:
5-pyridin-4-yl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-9(13)7-5-8(14-11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChI Key:
HTIKJHQMKVJKCZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1ccncc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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