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Chemical ID: 3993388
Chemical ID:
3993388
Name [?]:
4-allyloxy-3-methoxy-benzaldehyde
SMILES [?]:
COc1cc(ccc1OCC=C)C=O
InChi [?]:
InChI=1/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-5,7-8H,1,6H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,6,7,10,4,13,5,8,3,14,2,9/rA:14nCOCCCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s5;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.05383 |
Area: | 382.479 |
Solvation: | -5.50814 |
Coulombic: | -22.4075 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 192.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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