Chemical ID: 4206359

c1cc(ccc1NC(=O)C=CC(=O)O)OCC(=O)O
Chemical ID:
4206359
Name [?]:
4-[4-(carboxymethoxy)phenyl]amino-4-oxo-but-2-enoic acid
SMILES [?]:
c1cc(ccc1NC(=O)C=CC(=O)O)OCC(=O)O
InChi [?]:
InChI=1/C12H11NO6/c14-10(5-6-11(15)16)13-8-1-3-9(4-2-8)19-7-12(17)18/h1-6H,7H2,(H,13,14)(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,11,16,6,3,8,12,17,7,9,13,14,18,19,15/E:(1,2)(3,4)(15,16)(17,18)/rA:19nCCCCCCNCOCCCOOOCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;d12;s12;s3;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.23397
Area:456.643
Solvation:-6.18212
Coulombic:-79.271
Bond Count [?]
All:19
Single:12
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:265.219
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.24
LogP (Chemaxon):0.87

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