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Chemical ID: 4670257
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
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Experimental Annotations
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Descriptor Annotations
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