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Goniodiol

Goniodiol structure

CAS No:
96422-52-5
Formula:
C13H14O4
Chemical Name:
Goniodiol
Synonyms:
2H-Pyran-2-one,6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-5,6-dihydro-,(6R)-;2H-Pyran-2-one,6-(1,2-dihydroxy-2-phenylethyl)-5,6-dihydro-,[6R-[6R*(1R*,2R*)]]-;(6R)-6-[(1R,2R)-1,2-Dihydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one;Goniodiol;(+)-Goniodiol
Categories:
Natural Products > Phenols

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Goniodiol Basic Attributes

Molecular Weight：

234.24786

Exact Mass：

234.25

DSSTox ID：

DTXSID70242253

Characteristics

PSA：

66.76000

XLogP3：

0.02

Density：

1.3±0.1 g/cm3

Boiling Point：

488.2±40.0 °C at 760 mmHg

Flash Point：

192.1±20.8 °C

Refractive Index：

1.598

Drug Information

MeSH Entry Terms：

goniodiol

Computed Properties

Molecular Weight:234.25
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:234.08920892
Monoisotopic Mass:234.08920892
Topological Polar Surface Area:66.8
Heavy Atom Count:17
Complexity:294
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes