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Chemical ID: 6632397
Chemical ID:
6632397
Name [?]:
4-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILES [?]:
COc1ccc(cc1)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C15H14O3/c1-17-14-6-4-13(5-7-14)11-18-15-8-2-12(10-16)3-9-15/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,15,5,7,4,8,12,16,17,9,14,6,3,11,18,2,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCOCCCCCCCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.09702 |
Area: | 446.958 |
Solvation: | -5.07694 |
Coulombic: | -22.8011 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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