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145668-05-9 | 1,3-Benzenedimethanol, 4-hydroxy-2,5,6-trimethyl-
CAS No: 145668-05-9 Catalog No: AG001D9R MDL No:
Product Description
Catalog Number:
AG001D9R
Chemical Name:
1,3-Benzenedimethanol, 4-hydroxy-2,5,6-trimethyl-
CAS Number:
145668-05-9
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
2,4-bis(hydroxymethyl)-3,5,6-trimethylphenol
InChI:
InChI=1S/C11H16O3/c1-6-7(2)11(14)10(5-13)8(3)9(6)4-12/h12-14H,4-5H2,1-3H3
InChI Key:
LHAFIIKXHNDCLZ-UHFFFAOYSA-N
SMILES:
OCc1c(C)c(CO)c(c(c1C)C)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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