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1363383-12-3 | Pyrrolo[1,2-a]pyrazine-2,6(1H)-dicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) 6-methyl ester
CAS No: 1363383-12-3 Catalog No: AG0011QI MDL No:MFCD18425633
Product Description
Catalog Number:
AG0011QI
Chemical Name:
Pyrrolo[1,2-a]pyrazine-2,6(1H)-dicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) 6-methyl ester
CAS Number:
1363383-12-3
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
MDL Number:
MFCD18425633
IUPAC Name:
2-O-tert-butyl 6-O-methyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,6-dicarboxylate
InChI:
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-7-8-16-10(9-15)5-6-11(16)12(17)19-4/h5-6H,7-9H2,1-4H3
InChI Key:
COCKREWRKXYGFL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2n1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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