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6-O-Caffeoylarbutin

6-O-Caffeoylarbutin structure

CAS No:
136172-60-6
Formula:
C21H22O10
Chemical Name:
6-O-Caffeoylarbutin
Synonyms:
6-O-Caffeoylarbutin
Categories:
Natural Products > Phenols

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6-O-Caffeoylarbutin Basic Attributes

Molecular Weight：

434.397

Exact Mass：

434.121307

Characteristics

PSA：

166

XLogP3：

1.43

Density：

1.6±0.1 g/cm3

Boiling Point：

769.8±60.0 °C at 760 mmHg

Flash Point：

271.6±26.4 °C

Refractive Index：

1.699

Computed Properties

Molecular Weight:434.4
XLogP3:0.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:434.12129689
Monoisotopic Mass:434.12129689
Topological Polar Surface Area:166
Heavy Atom Count:31
Complexity:605
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes