Chemical ID: 6427470

Cc1cccc(c1NC(=O)C)C(=O)OC
Chemical ID:
6427470
Name [?]:
methyl 2-acetamido-3-methyl-benzoate
SMILES [?]:
Cc1cccc(c1NC(=O)C)C(=O)OC
InChi [?]:
InChI=1/C11H13NO3/c1-7-5-4-6-9(11(14)15-3)10(7)12-8(2)13/h4-6H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,15,4,3,5,2,9,6,7,12,8,10,13,14/rA:15nCCCCCCCNCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.82655
Area:375.292
Solvation:-2.55574
Coulombic:-39.0571
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.226
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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