Chemical ID: 4117330

Cc1cc(ccc1OC)CC(=O)O
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

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Descriptor Annotations

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