Fumaramide

CAT: 0127-OR74233-04Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR74233-04Size:100 g

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CAS Number

627-64-5

MDL Number

MFCD00025527

Purity

96%

Smiles

O=C(N)/C=C/C(N)=O

Chemical Information

Fumaramide

CAS Number	627-64-5
PubChem CID	446408
IUPAC Name	(E)-but-2-enediamide
Molecular Formula	C4H6N2O2
Molecular Weight	114.10
XLogP	-1.7
Topological Polar Surface Area	86.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	123

SMILES

C(=C/C(=O)N)\C(=O)N

InChI

InChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1+

InChIKey

BSSNZUFKXJJCBG-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 627-64-5

CID: 446408

Formula: C4H6N2O2

MW: 114.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.10
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	114.042927438
Monoisotopic Mass	114.042927438
Topological Polar Surface Area	86.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	123
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-279172	Fumaramide
F05940	Fumaramide 95%