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3,8-Quinolinediol

3,8-Quinolinediol structure

CAS No:
178762-28-2
Formula:
C9H7NO2
Chemical Name:
3,8-Quinolinediol
Synonyms:
3,8-Quinolinediol;Jineol;3,8-Dihydroxyquinoline;NSC 694081

Description

Jineol is a dihydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3 and 8. Isolated from the centipede Scolopendra subspinipes, it exhibits cytotoxic activity against human tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is a quinoline alkaloid, a member of quinolines and a dihydroxyquinoline.

3,8-Quinolinediol Basic Attributes

Molecular Weight：

161.16 g/mol

Exact Mass：

161.16

UNII：

TG4DD1DY9O

NSC Number：

694081

DSSTox ID：

DTXSID50170540

Characteristics

PSA：

53.4 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.16
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:53.4
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,8-Quinolinediol

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

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