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13924-95-3 | 5-Hydroxypyrazine-2-carboxylic acid methyl ester
CAS No: 13924-95-3 Catalog No: AG001AKC MDL No:MFCD22683218
Product Description
Catalog Number:
AG001AKC
Chemical Name:
5-Hydroxypyrazine-2-carboxylic acid methyl ester
CAS Number:
13924-95-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD22683218
IUPAC Name:
methyl 6-oxo-1H-pyrazine-3-carboxylate
InChI:
InChI=1S/C6H6N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h2-3H,1H3,(H,8,9)
InChI Key:
VNFXNPFSTYYFCZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c(=O)cn1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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