Chemical ID: 6658977

COC(=O)c1ccccc1C(=O)OC
Chemical ID:
6658977
Name [?]:
dimethyl benzene-1,2-dicarboxylate
SMILES [?]:
COC(=O)c1ccccc1C(=O)OC
InChi [?]:
InChI=1/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,7,8,6,9,5,10,3,11,4,12,2,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCOCOCCCCCCCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.26296
Area:361.93
Solvation:-2.78529
Coulombic:-39.0386
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.89
LogP (Chemaxon):1.14

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Descriptor Annotations

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