Ethyl 4-nitrocinnamate

CAT: 0127-OR480578-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR480578-01Size:5 g

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CAS Number

953-26-4

MDL Number

MFCD00007380

Purity

95%

Smiles

CCOC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-]

Chemical Information

Ethyl 3-(4-nitrophenyl)-2-propenoate

CAS Number	953-26-4
PubChem CID	95370
IUPAC Name	ethyl 3-(4-nitrophenyl)prop-2-enoate
Molecular Formula	C11H11NO4
Molecular Weight	221.21
XLogP	2.8
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	274

SMILES

CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3

InChIKey

PFBQVGXIMLXCQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 953-26-4

CID: 95370

Formula: C11H11NO4

MW: 221.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.21
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	221.06880783
Monoisotopic Mass	221.06880783
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
FE34419-01	Ethyl 4-nitrocinnamate
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