CAS 4230-93-7 | 3,4-DIMETHOXY-B-NITROSTYRENE | CAS Number 4230-93-7

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4230-93-7 | 3,4-DIMETHOXY-B-NITROSTYRENE

CAS No: 4230-93-7 Catalog No: AG003II4 MDL No:MFCD00024823

Product Description

Catalog Number:

AG003II4

Chemical Name:

3,4-DIMETHOXY-B-NITROSTYRENE

CAS Number:

4230-93-7

Molecular Formula:

C10H11NO4

Molecular Weight:

209.1986

MDL Number:

MFCD00024823

IUPAC Name:

1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene

InChI:

InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+

InChI Key:

SYJMYDMKPSZMSB-AATRIKPKSA-N

SMILES:

COc1cc(ccc1OC)C=C[N+](=O)[O-]

Properties

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.201g/mol

Monoisotopic Mass:

209.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes.	Bioorganic & medicinal chemistry 20101101
E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes.	Bioorganic & medicinal chemistry 20090915