Chemical ID: 4670334

CCN(CC)c1ccc(cc1)C(=O)C(=O)O
Chemical ID:
4670334
Name [?]:
2-(4-diethylaminophenyl)-2-oxo-acetic acid
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)C(=O)O
InChi [?]:
InChI=1/C12H15NO3/c1-3-13(4-2)10-7-5-9(6-8-10)11(14)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,10,7,11,9,6,12,14,3,13,15,16/E:(1,2)(3,4)(5,6)(7,8)(15,16)/rA:16nCCNCCCCCCCCCOCOO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.94359
Area:408.69
Solvation:-2.27365
Coulombic:-45.0365
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.31
LogP (Chemaxon):1.33

Name Annotations

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Descriptor Annotations

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