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Chemical ID: 6527180
Chemical ID:
6527180
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)ethyl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)NC(CO)CO
InChi [?]:
InChI=1/C11H15NO4/c1-16-10-5-3-2-4-9(10)11(15)12-8(6-13)7-14/h2-5,8,13-14H,6-7H2,1H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,13,15,12,8,3,9,11,14,16,10,2/E:(6,7)(13,14)/rA:16nCOCCCCCCCONCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.9657 |
Area: | 402.099 |
Solvation: | -6.08677 |
Coulombic: | -59.9024 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 225.241 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.04 |
LogP (Chemaxon): | -0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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