Chemical ID: 6687792

COc1cccc(c1C(=O)OC)OC
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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