Chemical ID: 5176227

CCOC(=O)c1cc(oc1C)C=O
Chemical ID:
5176227
Name [?]:
ethyl 5-formyl-2-methyl-furan-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc(oc1C)C=O
InChi [?]:
InChI=1/C9H10O4/c1-3-12-9(11)8-4-7(5-10)13-6(8)2/h4-5H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,12,10,8,6,4,13,5,3,9/rA:13nCCOCOCCCOCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.95132
Area:362.391
Solvation:-4.10846
Coulombic:-32.1078
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.93
LogP (Chemaxon):0.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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