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77479-01-7 | Dimethyl 3,3'-(pyrazine-2,5-diyl)dipropanoate
CAS No: 77479-01-7 Catalog No: AG005HGS MDL No:MFCD18433415
Product Description
Catalog Number:
AG005HGS
Chemical Name:
Dimethyl 3,3'-(pyrazine-2,5-diyl)dipropanoate
CAS Number:
77479-01-7
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD18433415
IUPAC Name:
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
InChI:
InChI=1S/C12H16N2O4/c1-17-11(15)5-3-9-7-14-10(8-13-9)4-6-12(16)18-2/h7-8H,3-6H2,1-2H3
InChI Key:
CAVDNRICPLKYEH-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ncc(nc1)CCC(=O)OC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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