Chemical ID: 6725741

Cc1ccc(o1)C=CC(=O)[O-]
Chemical ID:
6725741
Name [?]:
3-(5-methyl-2-furyl)prop-2-enoate
SMILES [?]:
Cc1ccc(o1)C=CC(=O)[O-]
InChi [?]:
InChI=1/C8H8O3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,2,5,9,10,11,6/E:(9,10)/rA:11nCCCCCOCCCOO-/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7O3-
All Atoms:18
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-39.4576
Area:304.979
Solvation:-47.082
Coulombic:-1.57703
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:151.139
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.36
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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