3-Hydroxy-2,2-dimethylpropionic Acid - CAS 4835-90-9

Catalog:	BB026525
Product Name:	3-Hydroxy-2,2-dimethylpropionic Acid
CAS:	4835-90-9
Synonyms:	3-hydroxy-2,2-dimethylpropanoic acid; 3-hydroxy-2,2-dimethylpropanoic acid

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Computed Properties

IUPAC Name:	3-hydroxy-2,2-dimethylpropanoic acid
Description:	3-Hydroxy-2,2-dimethylpropionic Acid (CAS# 4835-90-9) is a general reagent used in the synthesis of AZD8835, a potent and selective inhibitor of PI3K and PI3Kδ in the treatment of cancers.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	CC(C)(CO)C(=O)O
InChI:	InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)
InChI Key:	RDFQSFOGKVZWKF-UHFFFAOYSA-N
Boiling Point:	242.8 °C at 760 mmHg
Density:	1.144 g/cm³
LogP:	0.08950

Publication Number	Title	Priority Date
CN-113121987-A	Water-based 3D printing material and preparation method and application thereof	20210421
CN-112430328-A	Photocuring organic silicon resin cross-linking agent and synthesis method and application thereof	20201125
CN-112341590-A	Waterborne polyurethane and continuous preparation process thereof	20201111
CN-112341590-B	Waterborne polyurethane and continuous preparation process thereof	20201111
CN-112337415-A	Continuous production method and continuous production system for aldol condensation reaction	20201110

PMID	Publication Date	Title	Journal
19309138	20090416	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
12757376	20030501	A concise method for the preparation of peptide and arginine-rich peptide-conjugated antisense oligonucleotide	Bioconjugate chemistry

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GHS Hazard Statement:	H315 (32.59%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	95.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.062994177
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	118.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0