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7564-64-9 | 3-Methylpentane-1,3,5-triol , 80%
CAS No: 7564-64-9 Catalog No: AG003JRO MDL No:
Product Description
Catalog Number:
AG003JRO
Chemical Name:
3-Methylpentane-1,3,5-triol , 80%
CAS Number:
7564-64-9
IUPAC Name:
3-methylpentane-1,3,5-triol
InChI:
InChI=1S/C6H14O3/c1-6(9,2-4-7)3-5-8/h7-9H,2-5H2,1H3
InChI Key:
AHHQDHCTHYTBSV-UHFFFAOYSA-N
EC Number:
231-466-5
NSC Number:
361412
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.175g/mol
Monoisotopic Mass:
134.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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