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Chemical ID: 6686217
Chemical ID:
6686217
Name [?]:
1-(2,4-dimethoxyphenyl)propan-2-one
SMILES [?]:
CC(=O)Cc1ccc(cc1OC)OC
InChi [?]:
InChI=1/C11H14O3/c1-8(12)6-9-4-5-10(13-2)7-11(9)14-3/h4-5,7H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,12,6,7,4,9,2,5,8,10,3,13,11/rA:14nCCOCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.73261 |
Area: | 371.364 |
Solvation: | -4.55149 |
Coulombic: | -20.3319 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.54 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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