Furfural Impurity 5

CAT: 1596-AR-F11085-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F11085-01Size:10 Units

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CAS Number

1883-75-6

Molecular Formula

C6H8O3

Molecular Weight

128.13

API Name

Furfural

Chemical Information

2,5-Furandimethanol

2,5-furandimethanol is a furan carrying two hydroxymethyl substituents at the 2- and 5-positions. It is a diol and a member of furans.

CAS Number	1883-75-6
PubChem CID	74663
IUPAC Name	[5-(hydroxymethyl)furan-2-yl]methanol
Molecular Formula	C6H8O3
Molecular Weight	128.13
XLogP	-0.7
Topological Polar Surface Area	53.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	74

SMILES

C1=C(OC(=C1)CO)CO

InChI

InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2

InChIKey

DSLRVRBSNLHVBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1883-75-6

CID: 74663

Formula: C6H8O3

MW: 128.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.13
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	128.047344113
Monoisotopic Mass	128.047344113
Topological Polar Surface Area	53.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	74.4
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
AR-F11086-01	Furfural Impurity 6
AR-F11088-01	Furfural Impurity 3
AR-F11089-01	Furfural Impurity 4
AR-F11087-01	Furfural Impurity 7
AR-F02209-01	5-Hydroxymethyl Furfural
AR-F02208-01	Furfural
AR-F11091-01	3-Hydroxy Furfural
AR-F11090-01	Sulfoxymethyl-Furfural Sodium Salt
AR-N01601-01	Nintedanib Impurity 5 (Intedanib Impurity 5)
AR-L01669-01	Limaprost Impurity 5

Catalog	Name
RM-F212128-01	Furfural Impurity 1
RM-F212129-01	Furfural Impurity 2
RM-F212127-01	5-Hydroxymethyl Furfural; Glucosamine Hydrochloride EP Impurity E
MBS3610292	Furfural
164251	Furfural-d4
268415-01	5- (Chloromethyl) furfural
47462-01	Furfural pure, 99%
M6820-01	5-Methyl furfural
16603733	5- (Hydroxymethyl) furfural
C369220	5-(Chloromethyl)furfural