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3-(Methylamino)-1-benzoxepin-5(2H)-one

3-(Methylamino)-1-benzoxepin-5(2H)-one structure

CAS No:
77956-39-9
Formula:
C11H11NO2
Chemical Name:
3-(Methylamino)-1-benzoxepin-5(2H)-one
Synonyms:
1-Benzoxepin-5(2H)-one,3-(methylamino)-;3-(Methylamino)-1-benzoxepin-5(2H)-one

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3-(Methylamino)-1-benzoxepin-5(2H)-one Basic Attributes

Molecular Weight：

189.21

Exact Mass：

189.21

EC Number：

278-800-6

DSSTox ID：

DTXSID80228624

Characteristics

Density：

1.20±0.1 g/cm3

Melting Point：

176-178 °C @ Solvent: Methanol

Boiling Point：

339.9±42.0 °C(Predicted)

PKA：

4.70±0.20

Computed Properties

Molecular Weight:189.21
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:189.078978594
Monoisotopic Mass:189.078978594
Topological Polar Surface Area:38.3
Heavy Atom Count:14
Complexity:260
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Methylamino)-1-benzoxepin-5(2H)-one

Basic Attributes
Characteristics
Computed Properties

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