Chemical ID: 6721503

COc1cc(cc(c1)OC)NC(=O)C=CC(=O)[O-]
Chemical ID:
6721503
Name [?]:
4-(3,5-dimethoxyphenyl)amino-4-oxo-but-2-enoate
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C12H13NO5/c1-17-9-5-8(6-10(7-9)18-2)13-11(14)3-4-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,14,15,4,6,8,5,3,7,12,16,11,13,17,18,2,9/E:(1,2)(5,6)(9,10)(15,16)(17,18)/rA:18nCOCCCCCCOCNCOCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;w14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12NO5-
All Atoms:30
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-38.9149
Area:426.492
Solvation:-49.5772
Coulombic:-29.6878
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:250.227
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.29
LogP (Chemaxon):1.08

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