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1782248-68-3 | Pyrrolo[1,2-a]pyrazine-2,7(1H)-dicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
CAS No: 1782248-68-3 Catalog No: AG0025UC MDL No:
Product Description
Catalog Number:
AG0025UC
Chemical Name:
Pyrrolo[1,2-a]pyrazine-2,7(1H)-dicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
CAS Number:
1782248-68-3
Molecular Formula:
C13H17N2O4-
Molecular Weight:
265.2851
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
InChI:
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-5-4-14-7-9(11(16)17)6-10(14)8-15/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChI Key:
ZYPUHPLPQDPSDC-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)cc(c2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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