Chemical ID: 6510421

CC(=O)Oc1ccc(cc1OC)C=CC(=O)O
Chemical ID:
6510421
Name [?]:
3-(4-acetoxy-3-methoxy-phenyl)prop-2-enoic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=CC(=O)O
InChi [?]:
InChI=1/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,12,7,13,6,14,9,2,8,5,10,15,3,16,17,11,4/E:(14,15)/rA:17nCCOOCCCCCCOCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12O5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.44473
Area:409.301
Solvation:-4.7878
Coulombic:-50.9086
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:236.221
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.34
LogP (Chemaxon):1.4

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Descriptor Annotations

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