Methyl (S)-Glycidate - CAS 118712-39-3

Catalog:	BB004238
Product Name:	Methyl (S)-Glycidate
CAS:	118712-39-3
Synonyms:	(2S)-2-oxiranecarboxylic acid methyl ester; methyl (2S)-oxirane-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl (2S)-oxirane-2-carboxylate
Description:	Methyl (S)-Glycidate (CAS# 118712-39-3) is a useful research chemical.
Molecular Weight:	102.09
Molecular Formula:	C4H6O3
Canonical SMILES:	COC(=O)C1CO1
InChI:	InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m0/s1
InChI Key:	YKNYRRVISWJDSR-VKHMYHEASA-N
Boiling Point:	97.45 °C at 760 mmHg
Density:	1.166 g/mL at 25°C(lit.)
Appearance:	Liquid
MDL:	MFCD00274190
LogP:	-0.44180

Publication Number	Title	Priority Date
WO-2021203010-A1	Pyrrolo[2,3-f]indazole and 2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (aatd)	20200403
WO-2021097110-A1	Therapeutic compounds and methods of use	20191113
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
DE-102019125579-A1	KETAL-BASED SCENT AND INSECT REPELLENT PRECURSOR COMPOUNDS	20190924
EP-3800184-A1	Acetal / ketal-based fragrance and insect repellent precursor compounds	20190924

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	102.031694049
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	102.031694049
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2