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Chemical ID: 5609772
Chemical ID:
5609772
Name [?]:
2-(4-amino-1,3-dioxo-isoindolin-2-yl)acetic acid
SMILES [?]:
c1cc2c(c(c1)N)C(=O)N(C2=O)CC(=O)O
InChi [?]:
InChI=1/C10H8N2O4/c11-6-3-1-2-5-8(6)10(16)12(9(5)15)4-7(13)14/h1-3H,4,11H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,14,4,11,8,7,10,15,16,12,9/E:(13,14)/rA:16nCCCCCCNCONCOCCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s3s10;d11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.10142 |
Area: | 375.876 |
Solvation: | -3.2955 |
Coulombic: | -68.1132 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 220.182 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.3 |
LogP (Chemaxon): | -0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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