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2,2-Dimethyl-1,3-benzoxazin-4-one

2,2-Dimethyl-1,3-benzoxazin-4-one structure

CAS No:
30914-88-6
Formula:
C10H10NO2
Chemical Name:
2,2-Dimethyl-1,3-benzoxazin-4-one
Synonyms:
2,2-Dimethyl-1,3-benzoxazin-4-one;2,2-DiMethyl-2,3-dihydrobenzo[e]oxazin-4-one;2,2-DiMethyl-2,3-dihydrobenzo-1,3-oxazin-4-one;2,2-DiMethyl-2H-benzo[e][1,3]oxazin-4(3H)-one

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2,2-Dimethyl-1,3-benzoxazin-4-one Basic Attributes

Molecular Weight：

176.1919

Exact Mass：

177.07900

DSSTox ID：

DTXSID00352051

Characteristics

PSA：

38.3

XLogP3：

1.55530

Density：

1.119±0.06 g/cm3(Predicted)

Melting Point：

135-137 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))

Storage Conditions：

-20°C Freezer

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:177.20
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:177.078978594
Monoisotopic Mass:177.078978594
Topological Polar Surface Area:38.3
Heavy Atom Count:13
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-Dimethyl-1,3-benzoxazin-4-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,2-Dimethyl-1,3-benzoxazin-4-one

SDS

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