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Chemical ID: 4114971
Chemical ID:
4114971
Name [?]:
methyl 2,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)OC
InChi [?]:
InChI=1/C10H12O4/c1-12-7-4-5-8(10(11)14-3)9(6-7)13-2/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,14,4,5,8,3,6,7,11,12,2,9,13/rA:14nCOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.77938 |
Area: | 367.1 |
Solvation: | -4.39813 |
Coulombic: | -33.0387 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 196.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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