Name: Name:2-Nitrobenzeneacrylic acid methyl ester
Brand: Angene
SKU: AG00EJZU
Rating: 90 (10 reviews)

2-Nitrobenzeneacrylic acid methyl ester

CAS No.:

612-43-1

Catalog Number:

AG00EJZU

Molecular Formula:

C10H9NO4

Molecular Weight:

207.1828

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Product Description

Catalog Number:

AG00EJZU

Chemical Name:

2-Nitrobenzeneacrylic acid methyl ester

CAS Number:

612-43-1

Molecular Formula:

C10H9NO4

Molecular Weight:

207.1828

MDL Number:

MFCD00031068

IUPAC Name:

methyl (E)-3-(2-nitrophenyl)prop-2-enoate

InChI:

InChI=1S/C10H9NO4/c1-15-10(12)7-6-8-4-2-3-5-9(8)11(13)14/h2-7H,1H3/b7-6+

InChI Key:

VKKNUVQQEHKTCG-VOTSOKGWSA-N

SMILES:

COC(=O)C=Cc1ccccc1[N+](=O)[O-]

NSC Number:

4156

Properties

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.185g/mol

Monoisotopic Mass:

207.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Selection, synthesis, and anti-inflammatory evaluation of the arylidene malonate derivatives as TLR4 signaling inhibitors.	Bioorganic & medicinal chemistry 20121015

Properties