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67879-58-7

67879-58-7 structural image
Product Name: CAFTARIC ACID
Formula: C13H12O9
Synonyms: 2-Caffeoyl-L-tartaric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 618.2 °C at 760 mmHg
Melting Point 125 °C

COMPUTED DESCRIPTORS

Molecular Weight 312.23 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 312.04813196 g/mol
Monoisotopic Mass 312.04813196 g/mol
Topological Polar Surface Area 162 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 458
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Caftaric acid is a hydroxycinnamic acid.