Chemical ID: 7530346

Cc1cccc(c1C)NC(=O)COc2ccc(cc2)C(=O)O
Chemical ID:
7530346
Name [?]:
4-[(2,3-dimethylphenyl)carbamoylmethoxy]benzoic acid
SMILES [?]:
Cc1cccc(c1C)NC(=O)COc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C17H17NO4/c1-11-4-3-5-15(12(11)2)18-16(19)10-22-14-8-6-13(7-9-14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,16,18,15,19,12,2,7,17,14,6,10,20,9,11,21,22,13/E:(6,7)(8,9)(20,21)/rA:22nCCCCCCCCNCOCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:39
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.92018
Area:511.778
Solvation:-4.87426
Coulombic:-55.5107
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.95
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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