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Chemical ID: 6154196
Chemical ID:
6154196
Name [?]:
4-(hydroxymethyl)-2,6-dimethyl-phenol
SMILES [?]:
Cc1cc(cc(c1O)C)CO
InChi [?]:
InChI=1/C9H12O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,10-11H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,3,5,10,2,6,4,7,11,8/E:(1,2)(3,4)(6,7)/rA:11nCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.22387 |
Area: | 316.757 |
Solvation: | -2.69506 |
Coulombic: | -33.1814 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 152.19 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.26 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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