CAS 14002-80-3 | Methyl 3-hydroxy-2,2-dimethylpropanoate | CAS Number 14002-80-3

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 14002-80-3

14002-80-3 | Methyl 3-hydroxy-2,2-dimethylpropanoate

CAS No: 14002-80-3 Catalog No: AG003RL9 MDL No:MFCD00009707

Product Description

Catalog Number:

AG003RL9

Chemical Name:

Methyl 3-hydroxy-2,2-dimethylpropanoate

CAS Number:

14002-80-3

Molecular Formula:

C6H12O3

Molecular Weight:

132.1577

MDL Number:

MFCD00009707

IUPAC Name:

methyl 3-hydroxy-2,2-dimethylpropanoate

InChI:

InChI=1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3

InChI Key:

KJRFTNVYOAGTHK-UHFFFAOYSA-N

SMILES:

OCC(C(=O)OC)(C)C

EC Number:

237-805-3

Properties

Complexity:

107

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.159g/mol

Monoisotopic Mass:

132.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate.	The journal of physical chemistry. A 20090416
2,2-Functionalized analogues of 1alpha,25-dihydroxyvitamin D3, the potent inducers of cell differentiation.	The Journal of steroid biochemistry and molecular biology 20040501