Catalog No.:AA00BI8Z

30625-98-0 | (E)-4-(4-nitrophenyl)but-3-en-2-one

Name: Name:(E)-4-(4-nitrophenyl)but-3-en-2-one
Brand: AABLOCKS
SKU: AA00BI8Z
Availability: InStock
Rating: 90 (10 reviews)

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50mg

90%

3 weeks

$5,206.00 $3,644.00

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00BI8Z

Chemical Name:

(E)-4-(4-nitrophenyl)but-3-en-2-one

CAS Number:

30625-98-0

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

MDL Number:

MFCD00661313

SMILES:

CC(=O)C=Cc1ccc(cc1)[N+](=O)[O-]

NSC Number:

68341

Properties

Computed Properties

Complexity:

247

Covalently-Bonded Unit Count:

Defined Bond Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

1.7

Literature

Title: Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.

Journal: Bioorganic & medicinal chemistry letters 20020902

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SDS