Chemical ID: 6336962

CN(C)c1cccc(c1)C(=O)O
Chemical ID:
6336962
Name [?]:
3-dimethylaminobenzoic acid
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)
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:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.55063
Area:334.963
Solvation:-1.82344
Coulombic:-34.3679
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.85
LogP (Chemaxon):1.35

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Descriptor Annotations

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