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Chemical ID: 6048161
Chemical ID:
6048161
Name [?]:
2-(4-aminophenyl)-2-oxo-acetic acid
SMILES [?]:
c1cc(ccc1C(=O)C(=O)O)N
InChi [?]:
InChI=1/C8H7NO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,9H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,9,12,8,10,11/E:(1,2)(3,4)(11,12)/rA:12nCCCCCCCOCOON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;d9;s9;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.87294 |
Area: | 322.506 |
Solvation: | -2.1897 |
Coulombic: | -54.8073 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.146 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.43 |
LogP (Chemaxon): | 0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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