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Chemical ID: 6045954
Chemical ID:
6045954
Name [?]:
[2-(2-carboxyphenyl)aminoacetyl]oxypotassium
SMILES [?]:
c1ccc(c(c1)C(=O)O)NCC(=O)O[K]
InChi [?]:
InChI=1/C9H9NO4.K/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14;/h1-4,10H,5H2,(H,11,12)(H,13,14);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,5,4,12,7,10,13,14,8,9;15/E:(11,12)(13,14);/rA:15nCCCCCCCOONCCOOK/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8KNO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.262 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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