Chemical ID: 4254493

CC(C)COc1cccc(c1)C=O
Chemical ID:
4254493
Name [?]:
3-isobutoxybenzaldehyde
SMILES [?]:
CC(C)COc1cccc(c1)C=O
InChi [?]:
InChI=1/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7,9H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,7,11,12,4,2,10,6,13,5/E:(1,2)/rA:13nCCCCOCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.19201
Area:366.683
Solvation:-2.97507
Coulombic:-15.7788
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:178.228
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.71
LogP (Chemaxon):2.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue