Methyl 2-furoate

CAT: 1489-M6830-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-M6830-01Size:25 g

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CAS Number

611-13-2

Chemical Information

Methyl 2-furoate

Methyl 2-Furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.

CAS Number	611-13-2
PubChem CID	11902
IUPAC Name	methyl furan-2-carboxylate
Molecular Formula	C6H6O3
Molecular Weight	126.11
XLogP	1
Topological Polar Surface Area	39.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	111

SMILES

COC(=O)C1=CC=CO1

InChI

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

InChIKey

HDJLSECJEQSPKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 611-13-2

CID: 11902

Formula: C6H6O3

MW: 126.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.11
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.031694049
Monoisotopic Mass	126.031694049
Topological Polar Surface Area	39.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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M3100-01	METHYL 2-CHLOROISONICOTINATE
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M7400-01	2-[ (2-Methylphenoxy) methyl]oxirane
M9770-01	3-Methyl-2-Benzothialinone
M6780-01	2-Methyl-3-furanthiol
M9025-01	1-Methyl-2-Pyrrolidinone
M6750-01	2-Methyl-5-propionylfuran
M9020-01	1-Methyl-2-Pyrrolidinone

Catalog	Name
T8022-01	Methyl 2-furoate
OR916942-01	Methyl 5-methyl-2-furoate
OR28732-01	Methyl 2-methyl-3-furoate
sc-235734	Methyl 3-methyl-2-furoate
HY-Y0949R-01	Methyl 2-furoate (Standard)
sc-279403	Methyl 5-[ (phenylsulfonyl) methyl]-2-furoate
sc-353852	Methyl 3-[ (chlorosulfonyl) methyl]-2-furoate
PPA74454-01	Methyl 5-[ (2-bromophenoxy) methyl]-2-furoate
PPA62196-01	Methyl 5-[ (2-chlorophenoxy) methyl]-2-furoate
XAA60030-01	Methyl 5-amino-2-furoate