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12-Hydroxybenzo[a]pyrene

12-Hydroxybenzo[a]pyrene structure

CAS No:
56892-33-2
Formula:
C20H12O
Chemical Name:
12-Hydroxybenzo[a]pyrene
Synonyms:
Benzo[a]pyren-12-ol;12-Hydroxybenzo[a]pyrene

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Description

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

12-Hydroxybenzo[a]pyrene Basic Attributes

Molecular Weight：

268.3 g/mol

Exact Mass：

268.31

DSSTox ID：

DTXSID60205418

Characteristics

PSA：

20.2 Å²

Melting Point：

230-231 °C

Collision Cross Section：

163.1 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|163.98 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|162.5 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 12-Hydroxybenzo[a]pyrene

Description
Basic Attributes
Characteristics
Computed Properties

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