(E) -3- (5-Nitrofuran-2-yl) Acrylaldehyde

CAT: 1596-AR-F11065-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F11065-01Size:10 Units

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CAS Number

52661-56-0

Synonyms

(E) -3- (5-Nitrofuran-2-yl) acrylaldehyde

Molecular Formula

C7H5NO4

Molecular Weight

167.12

API Name

Furan

Chemical Information

5-Nitrofuryl-2-acrolein

RN given refers to parent cpd

CAS Number	52661-56-0
PubChem CID	5462962
IUPAC Name	(E)-3-(5-nitrofuran-2-yl)prop-2-enal
Molecular Formula	C7H5NO4
Molecular Weight	167.12
XLogP	1
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	208

SMILES

C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=O

InChI

InChI=1S/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H/b2-1+

InChIKey

DXWCZMGIIFEEPU-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 52661-56-0

CID: 5462962

Formula: C7H5NO4

MW: 167.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.12
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.02185764
Monoisotopic Mass	167.02185764
Topological Polar Surface Area	76 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208
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
AR-N01524-01	2- (diethoxymethyl) -5-nitrofuran
AR-N01519-01	5-nitrofuran-2-carboxylic acid
AR-F01350-01	(E) -3- (4-hydroxy-3-methoxyphenyl) acrylaldehyde
AR-P33430-01	(E) -N- (2,4-Diamino-6-methoxypyrimidin-5-yl) formimidic Acid
AR-P32865-01	Ethyl 3-[2- (5-Nitrothiophen-2-yl) -2,3-Dihydro-1,3-Benzoxazol-5-yl]-Propanoate
AR-O01590-01	3- (4,5-diphenyloxazol-2-yl) propanamide
AR-I01270-01	(E) - (2,4-difluorophenyl) (piperidin-4-yl) methanoneoxime
AR-H07651-01	(E, Z) -5- (2-Methylpropylene) Hydantoin
AR-T01304-01	5-bromo-2- (2H-tetrazol-5-yl) pyridine
AR-Z01174-01	(5- (Chloropyridine-2-yl-carbamoyl) pyrazine

Catalog	Name
TRC-N495950-250MG	(E)-3-(5-Nitrofuran-2-yl)acrylaldehyde
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OR1041139-01	(E) -3- (5-Nitrofuran-2-yl) acrylaldehyde
TRC-F840240-5G	(E)-3-(Furan-2-yl)acrylaldehyde
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TRC-M350290-10G	3-(2-Methoxyphenyl)acrylaldehyde
OR1025684-01	3- (2-Hydroxyphenyl) Acrylaldehyde