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Chemical ID: 7123145
Chemical ID:
7123145
Name [?]:
3-dimethylaminobenzoate
SMILES [?]:
CN(C)c1cccc(c1)C(=O)[O-]
InChi [?]:
InChI=1/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,9,8,4,10,2,11,12/E:(1,2)(11,12)/rA:12nCNCCCCCCCCOO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10NO2- |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.0679 |
Area: | 332.994 |
Solvation: | -43.3928 |
Coulombic: | -6.94666 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.181 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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