Chemical ID: 6685686

COc1ccc(c(c1)OC)C(=O)O
Chemical ID:
6685686
Name [?]:
2,4-dimethoxybenzoic acid
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)O
InChi [?]:
InChI=1/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,4,5,8,3,6,7,11,12,13,2,9/E:(10,11)/rA:13nCOCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.14492
Area:339.37
Solvation:-4.33933
Coulombic:-40.7215
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.47
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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