Chemical ID: 4623149

CCC(Cc1ccccc1)C=O
Chemical ID:
4623149
Name [?]:
2-benzylbutanal
SMILES [?]:
CCC(Cc1ccccc1)C=O
InChi [?]:
InChI=1/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,4,11,3,5,12/E:(4,5)(6,7)/rA:12cCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.24843
Area:340.95
Solvation:-2.27531
Coulombic:-8.54878
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:162.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.89
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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