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CAS Number: 110238-91-0
methyl tetrahydro-2H-pyran-4-carboxylate

Structure

methyl tetrahydro-2H-pyran-4-carboxylate
Name: methyl tetrahydro-2H-pyran-4-carboxylate
Synonyms:
General Information
Product Number: 110238910

CAS Registry Number: 110238-91-0

Name:

2H-​Pyran-​4-​carboxylic acid, tetrahydro-​, methyl ester
4-​(Methoxycarbonyl)​tetrahydropyran; Methyl tetrahydro-​2H-​pyran-​4-​carboxylate; Methyl tetrahydropyran-​4-​carboxylate; Tetrahydro-​2H-​pyran-​4-​carboxylic acid methyl ester; Tetrahydropyran-​4-​carboxylic acid methyl ester 

 

Chemical Formula: C7H12O3
Exact Mass: 144.08
Molecular Weight: 144.17
m/z: 144.08 (100.0%), 145.08 (7.8%)
Elemental Analysis: C, 58.32; H, 8.39; O, 33.29

 

InChI: InChI=1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChIKey: CNCMVGXVKBJYNU-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CCOCC1

 

Thermal Properties Value Condition Note
Boiling Point 80.5-81 °C Press: 16 Torr (1)CAS
Melting Point 78 °C Solv: hexane (110-54-3) (3)CAS

 

Specification

98%

References
  1. (1) Gibson, Charles S.; Journal of the Chemical Society 1930, P2525-30 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Kim, In-Hae; Journal of Medicinal Chemistry 2011, V54(6), P1752-1761 CAPLUS
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