Chemical ID: 7237625

COC(=O)c1c(c[nH+]cc1O)C(=O)[O-]
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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