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264623-57-6 | Pyrido[3,4-b]pyrazine-6,7(5H)-dicarboxylic acid, 7,8-dihydro-, 6-(1,1-dimethylethyl) ester
CAS No: 264623-57-6 Catalog No: AG002TC2 MDL No:MFCD04973511
Product Description
Catalog Number:
AG002TC2
Chemical Name:
Pyrido[3,4-b]pyrazine-6,7(5H)-dicarboxylic acid, 7,8-dihydro-, 6-(1,1-dimethylethyl) ester
CAS Number:
264623-57-6
Molecular Formula:
C13H16N3O4-
Molecular Weight:
278.2838
MDL Number:
MFCD04973511
IUPAC Name:
6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid
InChI:
InChI=1S/C13H17N3O4/c1-13(2,3)20-12(19)16-7-9-8(14-4-5-15-9)6-10(16)11(17)18/h4-5,10H,6-7H2,1-3H3,(H,17,18)
InChI Key:
LIXAAVSIXNGDTL-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2nccnc2CC1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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