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1375064-55-3 | 3-Isoxazolecarboxylic acid, 5-(2-pyrazinyl)-
CAS No: 1375064-55-3 Catalog No: AG0013F3 MDL No:MFCD22192339
Product Description
Catalog Number:
AG0013F3
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2-pyrazinyl)-
CAS Number:
1375064-55-3
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD22192339
IUPAC Name:
5-pyrazin-2-yl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C8H5N3O3/c12-8(13)5-3-7(14-11-5)6-4-9-1-2-10-6/h1-4H,(H,12,13)
InChI Key:
LGEIAXHZEBTDSN-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1cnccn1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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