Chemical ID: 5111110

COc1ccccc1CCC=O
Chemical ID:
5111110
Name [?]:
3-(2-methoxyphenyl)propanal
SMILES [?]:
COc1ccccc1CCC=O
InChi [?]:
InChI=1/C10H12O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7-8H,4,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,10,7,9,4,11,8,3,12,2/rA:12nCOCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.09246
Area:342.93
Solvation:-3.48079
Coulombic:-14.2327
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.95
LogP (Chemaxon):1.41

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Descriptor Annotations

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