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1375064-69-9 | 3-Isoxazolecarboxylic acid, 5-(2-pyrazinyl)-, methyl ester
CAS No: 1375064-69-9 Catalog No: AG0013EQ MDL No:MFCD22192340
Product Description
Catalog Number:
AG0013EQ
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2-pyrazinyl)-, methyl ester
CAS Number:
1375064-69-9
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD22192340
IUPAC Name:
methyl 5-pyrazin-2-yl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C9H7N3O3/c1-14-9(13)6-4-8(15-12-6)7-5-10-2-3-11-7/h2-5H,1H3
InChI Key:
QTYOSVMGWKRUNY-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cnccn1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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