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Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester

Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester structure

CAS No:
13395-36-3
Formula:
C10H16O4
Chemical Name:
Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester
Synonyms:
Hexanoic acid,5,5-dimethyl-2,4-dioxo-,ethyl ester;Ethyl pivaloylpyruvate;5,5-Dimethyl-2,4-dioxohexanoic acid ethyl ester;Ethyl 2,4-dioxo-5,5-dimethylhexanoate;Ethyl 5,5-dimethyl-2,4-dioxohexanoate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester Basic Attributes

Molecular Weight：

200.23 g/mol

Exact Mass：

200.23

EC Number：

236-478-4

DSSTox ID：

DTXSID80158432

Characteristics

PSA：

60.4 Å²

Boiling Point：

124 °C @ Press: 13 Torr

Safety Information

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:200.23
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:200.10485899
Monoisotopic Mass:200.10485899
Topological Polar Surface Area:60.4
Heavy Atom Count:14
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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