Chemical ID: 3995551

c1cc(oc1)C=C(C#N)C(=O)O
Chemical ID:
3995551
Name [?]:
2-cyano-3-(2-furyl)prop-2-enoic acid
SMILES [?]:
c1cc(oc1)C=C(C#N)C(=O)O
InChi [?]:
InChI=1/C8H5NO3/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,8,7,3,10,9,11,12,4/E:(10,11)/rA:12nCCCOCCCCNCOO/rB:s1;d2;s3;d1s4;s3;w6;s7;t8;s7;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.99602
Area:326.438
Solvation:-3.16494
Coulombic:-36.0211
Bond Count [?]
All:12
Single:7
Double:4
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:163.13
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.83
LogP (Chemaxon):0.95

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Descriptor Annotations

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