Chemical ID: 3969830

Cc1ccc(c(c1C)O)C
Chemical ID:
3969830
Name [?]:
2,3,6-trimethylphenol
SMILES [?]:
Cc1ccc(c(c1C)O)C
InChi [?]:
InChI=1/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,8,3,4,2,5,7,6,9/rA:10nCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.03528
Area:293.266
Solvation:-1.29638
Coulombic:-17.2009
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:136.191
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.5
LogP (Chemaxon):3.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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