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3-Hydroxybenzo[a]pyrene

3-Hydroxybenzo[a]pyrene structure

CAS No:
13345-21-6
Formula:
C20H12O
Chemical Name:
3-Hydroxybenzo[a]pyrene
Synonyms:
Benzo[a]pyren-3-ol;3-Hydroxy-3,4-benzo[a]pyrene;3-Hydroxybenzopyrene;3-Hydroxybenzo[a]pyrene

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Description

3-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.

3-Hydroxybenzo[a]pyrene Basic Attributes

Molecular Weight：

268.30900

Exact Mass：

268.31

UNII：

672ICH1Q4L

DSSTox ID：

DTXSID7038319

HScode：

2906299090

Characteristics

PSA：

20.23000

XLogP3：

5.44280

Density：

1.379g/cm3

Melting Point：

226-227 °C

Boiling Point：

527.2ºC at 760mmHg

Flash Point：

252.9ºC

Refractive Index：

1.924

Storage Conditions：

2-8ºC

Vapor Pressure：

9.85E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-hydroxybenzo(a)pyrene

Computed Properties

Molecular Weight:268.3
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:268.088815002
Monoisotopic Mass:268.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:21
Complexity:405
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Hydroxybenzo[a]pyrene

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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