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Chemical ID: 6132025
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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