Chemical ID: 6694643

CCOC(=O)CCc1ccco1
Chemical ID:
6694643
Name [?]:
ethyl 3-(2-furyl)propanoate
SMILES [?]:
CCOC(=O)CCc1ccco1
InChi [?]:
InChI=1/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,7,6,11,8,4,5,3,12/rA:12nCCOCOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.21721
Area:357.382
Solvation:-2.71735
Coulombic:-23.9593
Bond Count [?]
All:12
Single:9
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:168.19
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.06
LogP (Chemaxon):1.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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