Chemical ID: 6048161

c1cc(ccc1C(=O)C(=O)O)N
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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