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Chemical ID: 4117330
Chemical ID:
4117330
Name [?]:
2-(4-methoxy-3-methyl-phenyl)acetic acid
SMILES [?]:
Cc1cc(ccc1OC)CC(=O)O
InChi [?]:
InChI=1/C10H12O3/c1-7-5-8(6-10(11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,5,6,3,10,2,4,7,11,12,13,8/E:(11,12)/rA:13nCCCCCCCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.47153 |
Area: | 351.828 |
Solvation: | -3.32417 |
Coulombic: | -33.1844 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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