Chemical ID: 4956819

CC(=O)Oc1ccc(cc1OC)C=CC(=O)OC
Chemical ID:
4956819
Name [?]:
methyl 3-(4-acetoxy-3-methoxy-phenyl)prop-2-enoate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=CC(=O)OC
InChi [?]:
InChI=1/C13H14O5/c1-9(14)18-11-6-4-10(8-12(11)16-2)5-7-13(15)17-3/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,18,7,13,6,14,9,2,8,5,10,15,3,16,11,17,4/rA:18nCCOOCCCCCCOCCCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.03909
Area:430.768
Solvation:-4.73011
Coulombic:-43.4175
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:250.247
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.66
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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