Chemical ID: 4663859

c1ccc(cc1)NC(=O)CC(=O)O
Chemical ID:
4663859
Name [?]:
3-anilino-3-oxo-propanoic acid
SMILES [?]:
c1ccc(cc1)NC(=O)CC(=O)O
InChi [?]:
InChI=1/C9H9NO3/c11-8(6-9(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,4,8,11,7,9,12,13/E:(2,3)(4,5)(12,13)/rA:13nCCCCCCNCOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.67156
Area:344.507
Solvation:-3.94111
Coulombic:-43.84
Bond Count [?]
All:13
Single:8
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.173
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):1.23

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