Home Other Building Blocks 2,3,5,6-TETRAMETHYLBENZYL ALCOHOL

2,3,5,6-TETRAMETHYLBENZYL ALCOHOL

CAS No.:
78985-13-4
Catalog Number:
AG003FF1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
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Product Description
Catalog Number:
AG003FF1
Chemical Name:
2,3,5,6-TETRAMETHYLBENZYL ALCOHOL
CAS Number:
78985-13-4
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
MDL Number:
MFCD00051485
IUPAC Name:
(2,3,5,6-tetramethylphenyl)methanol
InChI:
InChI=1S/C11H16O/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5,12H,6H2,1-4H3
InChI Key:
QVMOEEBACLJUFD-UHFFFAOYSA-N
SMILES:
OCc1c(C)c(C)cc(c1C)C
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties