Chemical ID: 7123145

CN(C)c1cccc(c1)C(=O)[O-]
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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