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Chemical ID: 7089066
Chemical ID:
7089066
Name [?]:
1-(3,4-dimethylphenyl)but-3-en-1-ol
SMILES [?]:
Cc1ccc(cc1C)C(CC=C)O
InChi [?]:
InChI=1/C12H16O/c1-4-5-12(13)11-7-6-9(2)10(3)8-11/h4,6-8,12-13H,1,5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:12,1,8,11,10,3,4,6,2,7,5,9,13/rA:13cCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O |
All Atoms: | 29 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.39151 |
Area: | 368.506 |
Solvation: | -1.82115 |
Coulombic: | -19.992 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 176.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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