Chemical ID: 4670257

CN(C)c1ccc(cc1)C(=O)C(=O)O
Chemical ID:
4670257
Name [?]:
2-(4-dimethylaminophenyl)-2-oxo-acetic acid
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)C(=O)O
InChi [?]:
InChI=1/C10H11NO3/c1-11(2)8-5-3-7(4-6-8)9(12)10(13)14/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,7,4,10,12,2,11,13,14/E:(1,2)(3,4)(5,6)(13,14)/rA:14nCNCCCCCCCCOCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.69512
Area:366.273
Solvation:-2.46169
Coulombic:-44.6705
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.199
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.46
LogP (Chemaxon):1.13

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue