Mesifurane

CAT: 1596-AR-M04259-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04259-06Size:250 Units

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CAS Number

4077-47-8

Molecular Formula

C7H10O3

Molecular Weight

142.15

API Name

Mesifurane

Chemical Information

2,5-dimethyl-4-methoxy-3(2H)-furanone

Mesifurane is a member of oxolanes.

CAS Number	4077-47-8
PubChem CID	61325
IUPAC Name	4-methoxy-2,5-dimethylfuran-3-one
Molecular Formula	C7H10O3
Molecular Weight	142.15
XLogP	1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	193

SMILES

CC1C(=O)C(=C(O1)C)OC

InChI

InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3

InChIKey

SIMKGHMLPVDSJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4077-47-8

CID: 61325

Formula: C7H10O3

MW: 142.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.15
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	142.062994177
Monoisotopic Mass	142.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes