3- (4-Nitrophenyl) acrylaldehyde

CAT: 0127-OR1002111-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1002111-01Size:5 g

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CAS Number

1734-79-8

Purity

97%

Smiles

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

Chemical Information

4-Nitrocinnamaldehyde

RN given refers to cpd without isomeric designation

CAS Number	1734-79-8
PubChem CID	5354135
IUPAC Name	(E)-3-(4-nitrophenyl)prop-2-enal
Molecular Formula	C9H7NO3
Molecular Weight	177.16
XLogP	1.5
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	211

SMILES

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

InChI

InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+

InChIKey

ALGQVMMYDWQDEC-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 1734-79-8

CID: 5354135

Formula: C9H7NO3

MW: 177.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	177.042593085
Monoisotopic Mass	177.042593085
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	211
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
OR23876	2- (2-Nitrophenyl) acrylaldehyde
OR23877-01	3- (dimethylamino) -2- (2-nitrophenyl) acrylaldehyde
OR1025554-01	3- (4-Hydroxyphenyl) Acrylaldehyde
OR75788-01	(E) -3- (4-Bromophenyl) acrylaldehyde
PC32305	3-chloro-3- (4-fluorophenyl) acrylaldehyde
PC109895-01	(E) -3- (4- (Trifluoromethyl) Phenyl) Acrylaldehyde
OR1101379-01	(E) -3- (4- (Dimethylamino) Phenyl) Acrylaldehyde
OR1025684-01	3- (2-Hydroxyphenyl) Acrylaldehyde
OR1030813-01	(E) -3- (Dimethylamino) Acrylaldehyde
OR1038127-01	(3-Nitrophenyl) (4-nitrophenyl) methanone

Catalog	Name
GCA57839-01	3- (3-Nitrophenyl) acrylaldehyde
sc-259152	2- (2-Nitrophenyl) acrylaldehyde
sc-266307	3- (2-nitrophenyl) acrylaldehyde
sc-311702	(2Z) -3-Hydroxy-2- (4-nitrophenyl) acrylaldehyde
BAA07577	3- (4-Chlorophenyl) acrylaldehyde
sc-298834A	3- (Dimethylamino) -2- (4-methylphenyl) acrylaldehyde
sc-261007	3-Hydroxy-2- (pyrimidin-4-yl) acrylaldehyde
AR-F01350-01	(E) -3- (4-hydroxy-3-methoxyphenyl) acrylaldehyde
sc-343668	(2E) -3- (dimethylamino) -2- (4-methoxyphenyl) acrylaldehyde
sc-356582A	(2Z) -3-Hydroxy-2 (4-methylphenyl) acrylaldehyde