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100516-92-5 | 6,7-Pteridinedione, 2-amino-5,8-dihydro-
CAS No: 100516-92-5 Catalog No: AG00028I MDL No:MFCD22196065
Product Description
Catalog Number:
AG00028I
Chemical Name:
6,7-Pteridinedione, 2-amino-5,8-dihydro-
CAS Number:
100516-92-5
Molecular Formula:
C6H5N5O2
Molecular Weight:
179.1362
MDL Number:
MFCD22196065
IUPAC Name:
2-amino-5,8-dihydropteridine-6,7-dione
InChI:
InChI=1S/C6H5N5O2/c7-6-8-1-2-3(11-6)10-5(13)4(12)9-2/h1H,(H,9,12)(H3,7,8,10,11,13)
InChI Key:
XXIQXXDRQFNUGO-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)[nH]c(=O)c(=O)[nH]2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.139g/mol
Monoisotopic Mass:
179.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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