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2-METHYL-4-OXO-4-(4'-METHOXYPHENYL)BUTYRICACID

2-METHYL-4-OXO-4-(4'-METHOXYPHENYL)BUTYRICACID structure

CAS No:
5717-16-8
Formula:
C12H14O4
Chemical Name:
2-METHYL-4-OXO-4-(4'-METHOXYPHENYL)BUTYRICACID
Synonyms:
2-Methyl-4-oxo-4-(4"-methoxyphenyl)butyric acid;4-(4-methoxyphenyl)-2-methyl-4-oxobutanoic acid;SCHEMBL1376745;DTXSID90501016;AKOS010910128;MCULE-7927140839;NE32491;VZ24948;DB-021352;FT-0635818

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2-METHYL-4-OXO-4-(4'-METHOXYPHENYL)BUTYRICACID Basic Attributes

Molecular Weight：

222.23700

Exact Mass：

222.08900

DSSTox ID：

DTXSID90501016

HScode：

2918990090

Characteristics

PSA：

63.60000

XLogP3：

1.98870

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:222.24
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:254
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-METHYL-4-OXO-4-(4'-METHOXYPHENYL)BUTYRICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-METHYL-4-OXO-4-(4'-METHOXYPHENYL)BUTYRICACID

SDS

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