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Chemical ID: 7977293
Chemical ID:
7977293
Name [?]:
4-(2-allylphenoxy)benzaldehyde
SMILES [?]:
C=CCc1ccccc1Oc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H14O2/c1-2-5-14-6-3-4-7-16(14)18-15-10-8-13(12-17)9-11-15/h2-4,6-12H,1,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,7,3,5,8,13,15,12,16,17,14,4,11,9,18,10/E:(8,9)(10,11)/rA:18nCCCCCCCCCOCCCCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;/rC:-.3001,1.2811,-.3603;-.2152,-.0235,-.2765;-1.4073,-.8289,.1722;-1.7241,-1.8769,-.8633;-2.6708,-1.623,-1.837;-2.9618,-2.584,-2.7872;-2.3065,-3.8016,-2.7661;-1.3592,-4.0606,-1.7949;-1.0611,-3.0955,-.8433;-.1291,-3.3475,.113;.242,-4.644,-.0334;1.3481,-4.9645,-.8138;1.7271,-6.2734,-.9653;.9988,-7.2885,-.3324;-.1136,-6.9605,.4526;-.4813,-5.648,.602;1.4001,-8.6921,-.4916;.7679,-9.5696,.0575;
Chemical Details
Atom Count
Formula: | C16H14O2 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99005 |
Area: | 438.449 |
Solvation: | -2.97118 |
Coulombic: | -18.3133 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 238.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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