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3-methyl-2-phenylhexanenitrile

3-methyl-2-phenylhexanenitrile structure

CAS No:
26887-10-5
Formula:
C13H17N
Chemical Name:
3-methyl-2-phenylhexanenitrile
Synonyms:
3-methyl-2-phenylhexanenitrile;26887-10-5;NSC165826;SCHEMBL15278730;DTXSID00304454;AKOS024323172;MCULE-9564656166;NSC-165826

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3-methyl-2-phenylhexanenitrile Basic Attributes

Molecular Weight：

187.28 g/mol

Exact Mass：

187.136099547 g/mol

NSC Number：

165826

DSSTox ID：

DTXSID00304454

Characteristics

PSA：

23.8 Å²

Computed Properties

Molecular Weight:187.28
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:187.136099547
Monoisotopic Mass:187.136099547
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:195
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methyl-2-phenylhexanenitrile

Basic Attributes
Characteristics
Computed Properties

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