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3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile

3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile structure

CAS No:
53586-93-9
Formula:
C20H19NO
Chemical Name:
3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
Synonyms:
53586-93-9;NSC287550;3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile;DTXSID10314721;AKOS024324937;MCULE-2972188939;NSC-287550;3-Benzyl-2-oxo-3-phenylcyclohexanecarbonitrile

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3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile Basic Attributes

Molecular Weight：

289.4 g/mol

Exact Mass：

289.146664230 g/mol

NSC Number：

287550

DSSTox ID：

DTXSID10314721

Characteristics

PSA：

40.9 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:289.4
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:289.146664230
Monoisotopic Mass:289.146664230
Topological Polar Surface Area:40.9
Heavy Atom Count:22
Complexity:436
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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