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Benzo[a]pyren-7-ol

Benzo[a]pyren-7-ol structure

CAS No:
37994-82-4
Formula:
C20H12O
Chemical Name:
Benzo[a]pyren-7-ol
Synonyms:
Benzo[a]pyren-7-ol;7-Hydroxybenzo[a]pyrene;7-Hydroxybenzopyrene

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Description

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

Benzo[a]pyren-7-ol Basic Attributes

Molecular Weight：

268.30900

Exact Mass：

268.31

HScode：

2906299090

Characteristics

PSA：

20.23000

XLogP3：

5.44280

Density：

1.379g/cm3

Melting Point：

218-219 °C

Boiling Point：

527.2ºC at 760 mmHg

Flash Point：

252.9ºC

Refractive Index：

1.924

Collision Cross Section：

163.2 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|164.08 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|162.6 Å² [M-H]-

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 Benzo[a]pyren-7-ol

Description
Basic Attributes
Characteristics
Computed Properties

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