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126-30-7 | 1,3-Propanediol, 2,2-dimethyl-
CAS No: 126-30-7 Catalog No: AG000QO1 MDL No:MFCD00004685
Product Description
Catalog Number:
AG000QO1
Chemical Name:
1,3-Propanediol, 2,2-dimethyl-
CAS Number:
126-30-7
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00004685
IUPAC Name:
2,2-dimethylpropane-1,3-diol
InChI:
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
InChI Key:
SLCVBVWXLSEKPL-UHFFFAOYSA-N
SMILES:
OCC(CO)(C)C
EC Number:
204-781-0
UNII:
QI80HXD6S5
RTECS Number:
TY5775000
UN Number:
2811
Properties
Complexity:
44
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| An analytical method for lubricant quality control by NIR spectroscopy. | Talanta 20120130 |
| Study of supercooled orientationally disordered binary solid solutions II: cyclohexyl derivatives, neopentanol and neopentylglycol. | Physical chemistry chemical physics : PCCP 20091028 |
| Dielectric and calorimetric investigation of an unusual two-component plastic crystal: cyclohexanol-neopentylglycol. | Physical chemistry chemical physics : PCCP 20090707 |
| 3,3,12,12-Tetra-methyl-1,5,10,14-tetra-oxa-dispiro-[5.2.5.2]hexa-deca-ne. | Acta crystallographica. Section E, Structure reports online 20090701 |
| Sequential Ni-catalyzed borylation and cross-coupling of aryl halides via in situ prepared neopentylglycolborane. | Organic letters 20080619 |
| Solid-liquid interfacial energy of neopentylglycol. | Journal of colloid and interface science 20080415 |
| Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. | Biochemistry 20070807 |
| Rhodium(I)-catalyzed carboxylation of aryl- and alkenylboronic esters with CO2. | Journal of the American Chemical Society 20060712 |
| Transition-metal complexes of a bifunctional tetradentate gallium alkoxide ligand. | Inorganic chemistry 20020211 |
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