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Homecas117500-35-3

117500-35-3

117500-35-3 structural image
Product Name: BENZOICACID
Formula: C7H6O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 122.4 °C
Solubility 3.4 mg/mL at 25 °C
LogP 1.87

COMPUTED DESCRIPTORS

Molecular Weight 122.12 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 122.036779430 g/mol
Monoisotopic Mass 122.036779430 g/mol
Topological Polar Surface Area 40.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 98
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Benzoic Acid is a natural product found in Ascochyta medicaginicola, Alnus pendula, and other organisms with data available.