Chemical ID: 4118783

c1cc2c(cc1C=O)CCO2
Chemical ID:
4118783
Name [?]:
2,3-dihydrobenzofuran-5-carbaldehyde
SMILES [?]:
c1cc2c(cc1C=O)CCO2
InChi [?]:
InChI=1/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,9,10,5,7,6,4,3,8,11/rA:11nCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s9;s3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.31875
Area:302.278
Solvation:-3.2382
Coulombic:-14.346
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:148.159
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.48
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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