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Chemical ID: 7530346
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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