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24892-49-7 | 2,4-Pentanediol, 2,4-dimethyl-
CAS No: 24892-49-7 Catalog No: AG002PRT MDL No:MFCD00012306
Product Description
Catalog Number:
AG002PRT
Chemical Name:
2,4-Pentanediol, 2,4-dimethyl-
CAS Number:
24892-49-7
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
MDL Number:
MFCD00012306
IUPAC Name:
2,4-dimethylpentane-2,4-diol
InChI:
InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3
InChI Key:
DBTGFWMBFZBBEF-UHFFFAOYSA-N
SMILES:
CC(CC(O)(C)C)(O)C
Properties
Complexity:
83.1
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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