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Chemical ID: 3968323
Chemical ID:
3968323
Name [?]:
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid
SMILES [?]:
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
InChi [?]:
InChI=1/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,14,8,2,5,4,3,7,15,16,11,12,13,9,10/E:(12,13,14)/rA:16nCCCCCCNCOPOOOCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s10;s4;d14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10NO6P |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.19831 |
Area: | 405.956 |
Solvation: | -5.9506 |
Coulombic: | -77.401 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.142 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.24 |
LogP (Chemaxon): | -2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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