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3-methyl-3-phenylbutan-2-one

3-methyl-3-phenylbutan-2-one structure

CAS No:
770-85-4
Formula:
C11H14O
Chemical Name:
3-methyl-3-phenylbutan-2-one
Synonyms:
3-methyl-3-phenylbutan-2-one;3-methyl-3-phenyl-2-butanone;770-85-4;2-Butanone, 3-methyl-3-phenyl-;Cubylmethylketon;3-methyl-3-phenyl-butan-2-one;cumyl methyl ketone;SCHEMBL343807;DTXSID00301322;ZINC5430995;AKOS005216864;MCULE-3829437829;NE11235;alpha,alpha-dimethylbenzyl methyl ketone;EN300-68198;Z1250132578

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3-methyl-3-phenylbutan-2-one Basic Attributes

Molecular Weight：

162.23 g/mol

Exact Mass：

162.104465066 g/mol

DSSTox ID：

DTXSID00301322

Characteristics

PSA：

17.1 Å²

Safety Information

GHS Classification：

|Warning|H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:162.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methyl-3-phenylbutan-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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