Chemical ID: 4259514

CC(C)(C)c1cc(ccc1OC)C=O
Chemical ID:
4259514
Name [?]:
4-methoxy-3-tert-butyl-benzaldehyde
SMILES [?]:
CC(C)(C)c1cc(ccc1OC)C=O
InChi [?]:
InChI=1/C12H16O2/c1-12(2,3)10-7-9(8-13)5-6-11(10)14-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,8,9,6,13,7,5,10,2,14,11/E:(1,2,3)/rA:14nCCCCCCCCCCOCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s7;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.22177
Area:366.635
Solvation:-2.9441
Coulombic:-15.5307
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.24
LogP (Chemaxon):3.1

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Descriptor Annotations

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