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4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE

4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE structure

CAS No:
34844-80-9
Formula:
C9H9NO2
Chemical Name:
4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE
Synonyms:
4,5-dihydro-1,4-benzoxazepin-3(2H)-one(SALTDATA: FREE);2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one;4,5-Dihydrobenzo[f][1,4]oxazepin-3(2H)-one;4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE;4,5-DIHYDRO-BENZO[F][1,4]OXAZEPIN-3-ONE;4,5-dihydro-1,4-benzoxazepin-3-one;1,4-Benzoxazepin-3(2H)-one, 4,5-dihydro-

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4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE Basic Attributes

Molecular Weight：

163.17

Exact Mass：

163.063328530 g/mol

DSSTox ID：

DTXSID60358857

Characteristics

PSA：

38.3 Å²

Density：

1.186±0.06 g/cm3

Melting Point：

113-114 °C(Solv: dichloromethane (75-09-2); ethyl ether (60-29-7); ethanol (64-17-5))

Boiling Point：

396.2±31.0 °C(Predicted)

PKA：

14.24±0.20

Computed Properties

Molecular Weight:163.17
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:38.3
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE

Basic Attributes
Characteristics
Computed Properties

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