Name: Name:3-HYDROXY-4-METHOXYNITROSTYRENE
Brand: Angene
SKU: AG00777F
Rating: 90 (10 reviews)

3-HYDROXY-4-METHOXYNITROSTYRENE

CAS No.:

39816-35-8

Catalog Number:

AG00777F

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

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Product Description

Catalog Number:

AG00777F

Chemical Name:

3-HYDROXY-4-METHOXYNITROSTYRENE

CAS Number:

39816-35-8

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD00848686

IUPAC Name:

2-methoxy-5-[(E)-2-nitroethenyl]phenol

InChI:

InChI=1S/C9H9NO4/c1-14-9-3-2-7(6-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+

InChI Key:

QGCVJPGJBCRIEV-SNAWJCMRSA-N

SMILES:

COc1ccc(cc1O)C=C[N+](=O)[O-]

NSC Number:

196548

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.174g/mol

Monoisotopic Mass:

195.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library.	European journal of medicinal chemistry 20110501
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

Properties