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Chemical ID: 4703508
Chemical ID:
4703508
Name [?]:
dimethyl 2-hydroxyiminopropanedioate
SMILES [?]:
COC(=O)C(=NO)C(=O)OC
InChi [?]:
InChI=1/C5H7NO5/c1-10-4(7)3(6-9)5(8)11-2/h9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,5,3,8,6,4,9,7,2,10/E:(1,2)(4,5)(7,8)(10,11)/rA:11nCOCOCNOCOOC/rB:s1;s2;d3;s3;d5;s6;s5;d8;s8;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H7NO5 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.55961 |
Area: | 318.229 |
Solvation: | -3.39612 |
Coulombic: | -51.8973 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 161.113 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.39 |
LogP (Chemaxon): | 0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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