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89159-35-3 | 1H-Pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione, 6-methyl-, sulfate (2:1)
CAS No: 89159-35-3 Catalog No: AG003X9K MDL No:
Product Description
Catalog Number:
AG003X9K
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione, 6-methyl-, sulfate (2:1)
CAS Number:
89159-35-3
Molecular Formula:
C16H18N4O8S
Molecular Weight:
426.4011
IUPAC Name:
6-methyl-2,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3,4-dione;sulfuric acid
InChI:
InChI=1S/2C8H8N2O2.H2O4S/c2*1-4-2-5-3-9-7(11)6(5)8(12)10-4;1-5(2,3)4/h2*2H,3H2,1H3,(H,9,11)(H,10,12);(H2,1,2,3,4)
InChI Key:
DGLOOACTZDYGAP-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.O=C1NCc2c1c(=O)[nH]c(c2)C.O=C1NCc2c1c(=O)[nH]c(c2)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.085g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
426.4g/mol
Monoisotopic Mass:
426.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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