Chemical ID: 5066210

CCOC(=O)Cc1cccc(c1OC)OC
Chemical ID:
5066210
Name [?]:
ethyl 2-(2,3-dimethoxyphenyl)acetate
SMILES [?]:
CCOC(=O)Cc1cccc(c1OC)OC
InChi [?]:
InChI=1/C12H16O4/c1-4-16-11(13)8-9-6-5-7-10(14-2)12(9)15-3/h5-7H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,2,9,8,10,6,7,11,4,12,5,15,13,3/rA:16nCCOCOCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s11;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.4529
Area:414.936
Solvation:-4.92051
Coulombic:-32.6894
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:224.253
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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