CAS 111058-32-3 Methyl (2R)-2-oxiranecarboxylate (HCID 9877347)

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Basic information

CAS: 111058-32-3
Standard SMILES: COC(=O)[C@H]1CO1
InChIKey: YKNYRRVISWJDSR-GSVOUGTGSA-N
Molecular formula: C4H6O3
Average molar mass: 102.09 g/mol
Monoisotopic mass: 102.03169405

Overview

See also: (2R)-Oxiranecarboxylic acid, methyl ester (annotation moved to).

Names & identifiers

Preferred name: Methyl (2R)-2-oxiranecarboxylate
IUPAC: methyl (2R)-oxirane-2-carboxylate
English name: (R)-Methyglycidate
Molecular formula: C4H6O3
Molecular weight: 102.09

Names & synonyms

methyl (2R)-2-oxiranecarboxylateRefChem:812069111058-32-3(R)-Methyglycidatemethyl (2R)-oxirane-2-carboxylate(R)-methyl oxirane-2-carboxylateMethyl (2R)-glycidatemethyl (R)-glycidate(r)-methyl glycidateMFCD00274191(R)-methylglycidate(R)-Glycidic Acid Methyl Ester

Show more names

EOS-60688(R)-MethyclycidateR-METHYL OXIRANECARBOXYLATEmethyl (r)-oxiranecarboxylate

methyl(2R)-oxiran-2-carboxylateAS-15863methyl (R)-oxirane-2-carboxylateOxiranecarboxylic acid, methyl ester, (2R)-(2R)-Oxirane-2-carboxylic Acid Methyl Ester; (R)-Glycidic Acid Methyl Ester; (R)-Methyl Glycidate; Methyl (2R)-Glycidate; Methyl (2R)-oxirane-2-carboxylateBCP16542methyl(R)-glycidatemethyl-(R)-glycidate

Database identifiers

CAS: 111058-32-3
PubChem CID: 9877347
DTXSID: DTXSID60432146
Nikkaji: J623.384H

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 88.9

Physicochemical properties

alpha: 32 · 32 º (c=1, chloroform)
Boiling point: 97.4 · 97.4±15.0 °C(Predicted)
Density: 1.166 g/mL · 1.166 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.42(lit.)
Flash point: 162 °F · 162 °F
storage temp.: 2 · 2-8°C
solubility: Acetonitrile (Slightly), Chloroform (Soluble), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
optical activity: 20 · [α]20/D +32°, c = 1 in chloroform
Stability: Volatile
InChI: InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m1/s1
InChIKey: YKNYRRVISWJDSR-GSVOUGTGSA-N
SMILES: O1C[C@@H]1C(OC)=O
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22