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Chemical ID: 4963603
Chemical ID:
4963603
Name [?]:
6-(2-furyl)-4-methoxy-5,6-dihydropyran-2-one
SMILES [?]:
COC1=CC(=O)OC(C1)c2ccco2
InChi [?]:
InChI=1/C10H10O4/c1-12-7-5-9(14-10(11)6-7)8-3-2-4-13-8/h2-4,6,9H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,9,4,3,10,8,5,6,2,14,7/rA:14cCOCCCOOCCCCCCO/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;s8;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.17938 |
Area: | 362.029 |
Solvation: | -4.87133 |
Coulombic: | -30.7348 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.88 |
LogP (Chemaxon): | -0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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