Methyl 3-Hydroxypropanoate - CAS 6149-41-3

Catalog:	BB031142
Product Name:	Methyl 3-Hydroxypropanoate
CAS:	6149-41-3
Synonyms:	3-hydroxypropanoic acid methyl ester; methyl 3-hydroxypropanoate

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Computed Properties

IUPAC Name:	methyl 3-hydroxypropanoate
Description:	Methyl 3-Hydroxypropanoate (CAS# 6149-41-3) is a useful research chemical.
Molecular Weight:	104.10
Molecular Formula:	C4H8O3
Canonical SMILES:	COC(=O)CCO
InChI:	InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3
InChI Key:	RVGLEPQPVDUSOJ-UHFFFAOYSA-N
Boiling Point:	180.5 °C at 760 mmHg
Density:	1.089 g/cm³
Storage:	Pure form, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month
MDL:	MFCD00272293
LogP:	-0.45820

Publication Number	Title	Priority Date
CN-113429386-A	Synthetic method of R-lipoic acid	20210709
CN-113185494-A	Preparation method of R-lipoic acid	20210517
CN-112451471-A	Carboxylic acids for the treatment/prevention of skin diseases	20201112
CN-111849232-A	Polyurethane resin capable of being cured by low-temperature free radical polymerization and application thereof	20200731
CN-111592460-A	Preparation method of 3-hydroxy propionate	20200618

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
18255112	20080401	Synthesis of an isomeric mixture (24RS,25RS) of sodium scymnol sulfate	Steroids

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	60
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.047344113
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	104.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6