Chemical ID: 4949678

C1CC(OC1)COCCC#N
Chemical ID:
4949678
Name [?]:
3-(tetrahydrofuran-2-ylmethoxy)propanenitrile
SMILES [?]:
C1CC(OC1)COCCC#N
InChi [?]:
InChI=1/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h8H,1-3,5-7H2
InChi Info:
AuxInfo=1/0/N:1,9,2,10,8,5,6,3,11,7,4/rA:11cCCCOCCOCCCN/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:4.52074
Area:347.873
Solvation:-4.17609
Coulombic:-17.3485
Bond Count [?]
All:11
Single:10
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:155.194
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.02
LogP (Chemaxon):0.3

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Experimental Annotations

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Descriptor Annotations

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