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26512-02-7 | Glycine, compd. with 1,2-dihydro-3,6-pyridazinedione (8CI,9CI)
CAS No: 26512-02-7 Catalog No: AG002TJB MDL No:
Product Description
Catalog Number:
AG002TJB
Chemical Name:
Glycine, compd. with 1,2-dihydro-3,6-pyridazinedione (8CI,9CI)
CAS Number:
26512-02-7
Molecular Formula:
C6H9N3O4
Molecular Weight:
187.1534
IUPAC Name:
2-aminoacetic acid;1,2-dihydropyridazine-3,6-dione
InChI:
InChI=1S/C4H4N2O2.C2H5NO2/c7-3-1-2-4(8)6-5-3;3-1-2(4)5/h1-2H,(H,5,7)(H,6,8);1,3H2,(H,4,5)
InChI Key:
QPFQLQQNSOYYEV-UHFFFAOYSA-N
SMILES:
O=c1ccc(=O)[nH][nH]1.NCC(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
187.155g/mol
Monoisotopic Mass:
187.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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