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Chemical ID: 5206259
Chemical ID:
5206259
Name [?]:
1,2-dimethoxy-3-prop-1-enyl-benzene
SMILES [?]:
CC=Cc1cccc(c1OC)OC
InChi [?]:
InChI=1/C11H14O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,11,2,6,3,5,7,4,8,9,12,10/rA:13nCCCCCCCCCOCOC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.34956 |
Area: | 346.993 |
Solvation: | -3.32528 |
Coulombic: | -16.9208 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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