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Chemical ID: 4493700
Chemical ID:
4493700
Name [?]:
4-[(4-acetylphenyl)methoxy]benzaldehyde
SMILES [?]:
CC(=O)c1ccc(cc1)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H14O3/c1-12(18)15-6-2-14(3-7-15)11-19-16-8-4-13(10-17)5-9-16/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,8,14,16,5,9,13,17,18,10,2,15,7,4,12,19,3,11/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCOCCCCCCCOCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.78467 |
Area: | 466.769 |
Solvation: | -4.88457 |
Coulombic: | -23.0131 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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