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3-methoxybenzo[a]pyrene

3-methoxybenzo[a]pyrene structure

CAS No:
63059-68-7
Formula:
C21H14O
Chemical Name:
3-methoxybenzo[a]pyrene
Synonyms:
3-methoxybenzo[a]pyrene;63059-68-7;BENZO(a)PYRENE, 3-METHOXY-;3-Methoxy Benzopyrene;8-Methoxy-3,4-benzpyrene;BRN 3358627;3-methoxybenzo[pqr]tetraphene;DTXSID40212382;ZINC5734051;FT-0671158

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3-methoxybenzo[a]pyrene Basic Attributes

Molecular Weight：

282.3 g/mol

Exact Mass：

282.104465066 g/mol

DSSTox ID：

DTXSID40212382

Characteristics

PSA：

9.2 Å²

Computed Properties

Molecular Weight:282.3
XLogP3:6.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:282.104465066
Monoisotopic Mass:282.104465066
Topological Polar Surface Area:9.2
Heavy Atom Count:22
Complexity:418
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methoxybenzo[a]pyrene

Basic Attributes
Characteristics
Computed Properties

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