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CIMIDAHURNINE

CIMIDAHURNINE structure

CAS No:
142542-89-0
Formula:
C14H20O8
Chemical Name:
CIMIDAHURNINE
Synonyms:
CIMIDAHURNINE
Categories:
Natural Products > Phenols

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CIMIDAHURNINE Basic Attributes

Molecular Weight：

316.304

Exact Mass：

316.115814

UNII：

J88XB1FJ39

Characteristics

PSA：

139.84000

XLogP3：

-2.48

Density：

1.540±0.06 g/cm3(Predicted)

Boiling Point：

611.2±55.0 °C(Predicted)

Flash Point：

323.5±31.5 °C

Refractive Index：

1.651

Computed Properties

Molecular Weight:316.30
XLogP3:-1.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:316.11581759
Monoisotopic Mass:316.11581759
Topological Polar Surface Area:140
Heavy Atom Count:22
Complexity:341
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes