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2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate

2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate structure

CAS No:
61312-59-2
Formula:
C15H17NO5
Chemical Name:
2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate
Synonyms:
Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-,2-methylpropyl ester;2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate;Isobutyl 2-(2-nitrobenzylidene)acetoacetate

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2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate Basic Attributes

Molecular Weight：

291.29900

Exact Mass：

291.30

EC Number：

612-113-8

DSSTox ID：

DTXSID30708820

Characteristics

PSA：

89.19000

XLogP3：

3.28960

Density：

1.203g/cm3

Melting Point：

68-69 °C

Boiling Point：

424.2ºC at 760 mmHg

Flash Point：

172ºC

Refractive Index：

1.558

Safety Information

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P264, P272, P273, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P333+P313, P337+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:291.30
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:291.11067264
Monoisotopic Mass:291.11067264
Topological Polar Surface Area:89.2
Heavy Atom Count:21
Complexity:436
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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