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Chemical ID: 6660730
Chemical ID:
6660730
Name [?]:
4-dimethylamino-2-hydroxy-benzoic acid
SMILES [?]:
CN(C)c1ccc(c(c1)O)C(=O)O
InChi [?]:
InChI=1/C9H11NO3/c1-10(2)6-3-4-7(9(12)13)8(11)5-6/h3-5,11H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,5,6,9,4,7,8,11,2,10,12,13/E:(1,2)(12,13)/rA:13nCNCCCCCCCOCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s7;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.68957 |
Area: | 344.837 |
Solvation: | -2.93136 |
Coulombic: | -48.9776 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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