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29044-06-2 | 2,5-Hexanediol, 2-methyl-
CAS No: 29044-06-2 Catalog No: AG002VB2 MDL No:
Product Description
Catalog Number:
AG002VB2
Chemical Name:
2,5-Hexanediol, 2-methyl-
CAS Number:
29044-06-2
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
2-methylhexane-2,5-diol
InChI:
InChI=1S/C7H16O2/c1-6(8)4-5-7(2,3)9/h6,8-9H,4-5H2,1-3H3
InChI Key:
KZWQVDXGMOSSNY-UHFFFAOYSA-N
SMILES:
CC(CCC(O)(C)C)O
Properties
Complexity:
79
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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