CAS 611-13-2 | Methyl furan-2-carboxylate | CAS Number 611-13-2

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611-13-2 | Methyl furan-2-carboxylate

CAS No: 611-13-2 Catalog No: AG003RNX MDL No:MFCD00003236

Product Description

Catalog Number:

AG003RNX

Chemical Name:

Methyl furan-2-carboxylate

CAS Number:

611-13-2

Molecular Formula:

C6H6O3

Molecular Weight:

126.1100

MDL Number:

MFCD00003236

IUPAC Name:

methyl furan-2-carboxylate

InChI:

InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3

InChI Key:

HDJLSECJEQSPKW-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccco1

UNII:

O9A8D29YDE

NSC Number:

35551

FEMA Number:

2703

Properties

Complexity:

111

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

126.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

126.111g/mol

Monoisotopic Mass:

126.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Chemical and biochemical study of industrially produced San Simón da Costa smoked semi-hard cow's milk cheeses: Effects of storage under vacuum and different modified atmospheres.	Journal of dairy science 20100501
3-[4-(Benz-yloxy)phen-yl]-1-(2-fur-yl)-3-hydroxy-prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20081201
Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.	Organic letters 20051124
Facile asymmetric synthesis of the core nuclei of xanthanolides, guaianolides, and eudesmanolides.	Organic letters 20030320
Enantioselective synthesis of (-)-roccellaric acid.	Organic letters 20010503