Chemical ID: 7145443

CC(C(=O)O)Oc1c(cc(cc1OC)C=O)CC=C
Chemical ID:
7145443
Name [?]:
2-(2-allyl-4-formyl-6-methoxy-phenoxy)propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1c(cc(cc1OC)C=O)CC=C
InChi [?]:
InChI=1/C14H16O5/c1-4-5-11-6-10(8-15)7-12(18-3)13(11)19-9(2)14(16)17/h4,6-9H,1,5H2,2-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:19,1,14,18,17,9,11,15,2,10,8,12,7,3,16,4,5,13,6/E:(16,17)/rA:19cCCCOOOCCCCCCOCCOCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;d15;s8;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O5
All Atoms:35
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.60343
Area:441.266
Solvation:-5.42823
Coulombic:-50.6728
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.274
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.27
LogP (Chemaxon):2.34

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Descriptor Annotations

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