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6-Hydroxychrysene

6-Hydroxychrysene structure

CAS No:
37515-51-8
Formula:
C18H12O
Chemical Name:
6-Hydroxychrysene
Synonyms:
6-Chrysenol;6-Hydroxychrysene

Description

Chrysen-6-ol is a hydroxychrysene that is chrysene in which the hydrogen at position 6 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite.

6-Hydroxychrysene Basic Attributes

Molecular Weight：

244.29

Exact Mass：

244.29

UNII：

9CRJ4NM6HV

DSSTox ID：

DTXSID6038324

Characteristics

PSA：

20.2 Å²

Density：

1.284±0.06 g/cm3

Melting Point：

248-250 °C (decomp)

Boiling Point：

498.2±14.0 °C(Predicted)

PKA：

9.40±0.30

Collision Cross Section：

158.68 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|157.3 Å² [M-H]-

Drug Information

MeSH Entry Terms：

6-hydroxychrysene

Computed Properties

Molecular Weight:244.3
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:244.088815002
Monoisotopic Mass:244.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:19
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Hydroxychrysene

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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