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893638-39-6 | 5-(Pyridin-3-yl)isoxazole-3-carboxylic acid
CAS No: 893638-39-6 Catalog No: AG003M4U MDL No:MFCD07377114
Product Description
Catalog Number:
AG003M4U
Chemical Name:
5-(Pyridin-3-yl)isoxazole-3-carboxylic acid
CAS Number:
893638-39-6
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD07377114
IUPAC Name:
5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-9(13)7-4-8(14-11-7)6-2-1-3-10-5-6/h1-5H,(H,12,13)
InChI Key:
RAKJDFVYCYOGJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1cccnc1
Properties
Complexity:
222
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:
0.8
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