Catalog No.:AA003J9D

1877-72-1 | 3-Cyanobenzoic acid

Name: Name:3-Cyanobenzoic acid
Brand: AABLOCKS
SKU: AA003J9D
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Rating: 90 (10 reviews)

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10g

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$7.00 $5.00

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25g

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100g

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA003J9D

Chemical Name:

3-Cyanobenzoic acid

CAS Number:

1877-72-1

Molecular Formula:

C8H5NO2

Molecular Weight:

147.1308

MDL Number:

MFCD00002486

SMILES:

N#Cc1cccc(c1)C(=O)O

Properties

BP:

324.7°C at 760 mmHg

Form:

Solid

MP:

220-224 °C(lit.)

Refractive Index:

1.4700 (estimate)

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

203

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

1.5

Literature

Title: Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.

Journal: Inorganic chemistry 20090420

Title: 3-(1H-Tetra-zol-5-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: A three-dimensional coordination polymer featuring effective ferrimagnetic hydroxide-bridged manganese(II) chains.

Journal: Inorganic chemistry 20050627

Title: Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

Journal: Journal of medicinal chemistry 19971205

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SDS