Chemical ID: 6132025

COc1ccc(cc1)c2ccccc2C=O
Chemical ID:
6132025
Name [?]:
2-(4-methoxyphenyl)benzaldehyde
SMILES [?]:
COc1ccc(cc1)c2ccccc2C=O
InChi [?]:
InChI=1/C14H12O2/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,5,7,4,8,15,6,14,3,9,16,2/E:(6,7)(8,9)/rA:16nCOCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.57578
Area:392.642
Solvation:-3.24026
Coulombic:-16.548
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.57
LogP (Chemaxon):3.15

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Descriptor Annotations

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