Chemical ID: 4973558

CC(C)(CC=O)c1ccccc1
Chemical ID:
4973558
Name [?]:
3-methyl-3-phenyl-butanal
SMILES [?]:
CC(C)(CC=O)c1ccccc1
InChi [?]:
InChI=1/C11H14O/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,12,4,5,7,2,6/E:(1,2)(4,5)(6,7)/rA:12nCCCCCOCCCCCC/rB:s1;s2;s2;s4;d5;s2;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.30128
Area:335.982
Solvation:-2.09828
Coulombic:-8.51876
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:162.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.95
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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