Chemical ID: 6650877

Cc1ccc(cc1)COc2ccc(cc2)C=C(C#N)C(=O)O
Chemical ID:
6650877
Name [?]:
2-cyano-3-[4-(p-tolylmethoxy)phenyl]-prop-2-enoic acid
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=C(C#N)C(=O)O
InChi [?]:
InChI=1/C18H15NO3/c1-13-2-4-15(5-3-13)12-22-17-8-6-14(7-9-17)10-16(11-19)18(20)21/h2-10H,12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,12,14,11,15,16,18,8,2,13,5,17,10,20,19,21,22,9/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:22nCCCCCCCCOCCCCCCCCCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;t18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.14709
Area:518.677
Solvation:-3.81983
Coulombic:-39.8556
Bond Count [?]
All:23
Single:14
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:293.317
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.19
LogP (Chemaxon):3.99

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