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Chemical ID: 6687792
Chemical ID:
6687792
Name [?]:
methyl 2,6-dimethoxybenzoate
SMILES [?]:
COc1cccc(c1C(=O)OC)OC
InChi [?]:
InChI=1/C10H12O4/c1-12-7-5-4-6-8(13-2)9(7)10(11)14-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,12,5,4,6,3,7,8,9,10,2,13,11/E:(1,2)(5,6)(7,8)(12,13)/rA:14nCOCCCCCCCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s7;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.5331 |
Area: | 367.042 |
Solvation: | -4.64295 |
Coulombic: | -33.6515 |
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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