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Chemical ID: 5173186
Chemical ID:
5173186
Name [?]:
2-allyl-3-methoxy-1,4-dimethyl-benzene
SMILES [?]:
Cc1ccc(c(c1CC=C)OC)C
InChi [?]:
InChI=1/C12H16O/c1-5-6-11-9(2)7-8-10(3)12(11)13-4/h5,7-8H,1,6H2,2-4H3
InChi Info:
AuxInfo=1/0/N:10,1,13,12,9,8,3,4,2,5,7,6,11/rA:13nCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6;s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0807 |
Area: | 353.798 |
Solvation: | -1.76425 |
Coulombic: | -10.2934 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 176.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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