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Gnetol

Gnetol structure

CAS No:
86361-55-9
Formula:
C14H12O4
Chemical Name:
Gnetol
Synonyms:
1,3-Benzenediol,2-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-;1,3-Benzenediol,2-[2-(3,5-dihydroxyphenyl)ethenyl]-,(E)-;2-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,3-benzenediol;Gnetol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Gnetol Basic Attributes

Molecular Weight：

244.24

Exact Mass：

244.24

EC Number：

617-839-9

Characteristics

Density：

1.468±0.06 g/cm3

Melting Point：

271°C(lit.)

Boiling Point：

540.8±30.0 °C(Predicted)

PKA：

9.06±0.40

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,3',5',6-tetrahydroxy-trans-stilbene

Computed Properties

Molecular Weight:244.24
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:244.07355886
Monoisotopic Mass:244.07355886
Topological Polar Surface Area:80.9
Heavy Atom Count:18
Complexity:272
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes