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1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine

1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine structure

CAS No:
22086-97-1
Formula:
C12H13N3O
Chemical Name:
1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine
Synonyms:
A-29981 free base;UNII-1YPN9BFP87;1YPN9BFP87;1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine;Q27253223;1H-Pyrazolo(3,4-b)(1,4)benzoxazepine, 4,5-dihydro-1,3-dimethyl-;Dihydro-1,3-dimethyl-1H-pyrazolo(3,4-b)(1,4)-benzoxazepine, 4,5-;22086-97-1

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1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine Basic Attributes

Molecular Weight：

215.25 g/mol

Exact Mass：

215.105862047 g/mol

UNII：

1YPN9BFP87

Characteristics

PSA：

39.1 Å²

XLogP3：

2.5843

Melting Point：

102 - 105 °C

Computed Properties

Molecular Weight:215.25
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:215.105862047
Monoisotopic Mass:215.105862047
Topological Polar Surface Area:39.1
Heavy Atom Count:16
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine

Basic Attributes
Characteristics
Computed Properties

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