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Chemical ID: 6685686
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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