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Chemical ID: 6725741
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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