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Chemical ID: 7243648
Chemical ID:
7243648
Name [?]:
2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid
SMILES [?]:
Cn1cnc2c1c(=O)n(c(=O)n2C)CC(=O)O
InChi [?]:
InChI=1/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,14,3,15,6,5,7,10,4,2,12,9,16,17,8,11/E:(14,15)/rA:17nCNCNCCCONCONCCCOO/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s5s10;s12;s9;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N4O4 |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.4377 |
Area: | 385.001 |
Solvation: | -3.18732 |
Coulombic: | -72.5574 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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