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60070-05-5 | 4,5-DIMETHYLBENZENE-1,2-DIMETHANOL
CAS No: 60070-05-5 Catalog No: AG003KIE MDL No:
Product Description
Catalog Number:
AG003KIE
Chemical Name:
4,5-DIMETHYLBENZENE-1,2-DIMETHANOL
CAS Number:
60070-05-5
IUPAC Name:
[2-(hydroxymethyl)-4,5-dimethylphenyl]methanol
InChI:
InChI=1S/C10H14O2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3
InChI Key:
VSODREOTHFONSP-UHFFFAOYSA-N
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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