Chemical ID: 7100456

CCCOc1ccccc1C=CC(=O)O
Chemical ID:
7100456
Name [?]:
3-(2-propoxyphenyl)prop-2-enoic acid
SMILES [?]:
CCCOc1ccccc1C=CC(=O)O
InChi [?]:
InChI=1/C12H14O3/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,11,12,3,10,5,13,14,15,4/E:(13,14)/rA:15nCCCOCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O3
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.41353
Area:411.221
Solvation:-2.86699
Coulombic:-36.0553
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:206.238
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):2.71

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