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Chemical ID: 7237625
Chemical ID:
7237625
Name [?]:
3-hydroxy-4-methoxycarbonyl-1H-pyridine-5-carboxylate
SMILES [?]:
COC(=O)c1c(c[nH+]cc1O)C(=O)[O-]
InChi [?]:
InChI=1/C8H7NO5/c1-14-8(13)6-4(7(11)12)2-9-3-5(6)10/h2-3,10H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,5,12,3,8,11,13,14,4,2/E:(11,12)/rA:14nCOCOCCCN+CCOCOO-/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s6;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7NO5 |
All Atoms: | 21 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -35.509 |
Area: | 342.678 |
Solvation: | -44.076 |
Coulombic: | -57.8418 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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