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122956-29-0 | 2-Pyrazinecarboxylic acid, 5,6-bis(4-methoxyphenyl)-, methyl ester
CAS No: 122956-29-0 Catalog No: AG000JTT MDL No:
Product Description
Catalog Number:
AG000JTT
Chemical Name:
2-Pyrazinecarboxylic acid, 5,6-bis(4-methoxyphenyl)-, methyl ester
CAS Number:
122956-29-0
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
IUPAC Name:
methyl 5,6-bis(4-methoxyphenyl)pyrazine-2-carboxylate
InChI:
InChI=1S/C20H18N2O4/c1-24-15-8-4-13(5-9-15)18-19(14-6-10-16(25-2)11-7-14)22-17(12-21-18)20(23)26-3/h4-12H,1-3H3
InChI Key:
YZGKJQHBCZQDFN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(cnc1c1ccc(cc1)OC)C(=O)OC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.374g/mol
Monoisotopic Mass:
350.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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