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Chemical ID: 7088881
Chemical ID:
7088881
Name [?]:
3-(3,4-dimethoxyphenyl)benzaldehyde
SMILES [?]:
COc1ccc(cc1OC)c2cccc(c2)C=O
InChi [?]:
InChI=1/C15H14O3/c1-17-14-7-6-13(9-15(14)18-2)12-5-3-4-11(8-12)10-16/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,5,4,16,7,17,15,11,6,3,8,18,2,9/rA:18nCOCCCCCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O3 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.03497 |
Area: | 434.647 |
Solvation: | -5.8312 |
Coulombic: | -22.1606 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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