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2757-91-7 | 7-Pteridinecarboxylic acid, 2-amino-3,4,5,6-tetrahydro-4,6-dioxo-
CAS No: 2757-91-7 Catalog No: AG002U3R MDL No:
Product Description
Catalog Number:
AG002U3R
Chemical Name:
7-Pteridinecarboxylic acid, 2-amino-3,4,5,6-tetrahydro-4,6-dioxo-
CAS Number:
2757-91-7
Molecular Formula:
C7H5N5O4
Molecular Weight:
223.1457
IUPAC Name:
2-amino-4,6-dioxo-4a,5-dihydropteridine-7-carboxylic acid
InChI:
InChI=1S/C7H5N5O4/c8-7-11-3-1(4(13)12-7)10-5(14)2(9-3)6(15)16/h1H,(H,10,14)(H,15,16)(H2,8,12,13)
InChI Key:
RYJCZOIHZAAVPB-UHFFFAOYSA-N
SMILES:
Nc1nc2nc(C(=O)O)c(=O)[nH]c2c(=O)[nH]1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.148g/mol
Monoisotopic Mass:
223.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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