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2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA:FREE)

2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA:FREE) structure

CAS No:
313276-51-6
Formula:
C10H15N3O
Chemical Name:
2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA:FREE)
Synonyms:
2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA: FREE)

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2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA:FREE) Basic Attributes

Molecular Weight：

193.25

Exact Mass：

193.121512110

DSSTox ID：

DTXSID80398139

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

1.42750

Density：

1.25±0.1 g/cm3

Melting Point：

80-82 °C

Boiling Point：

369.6±34.0 °C(Predicted)

PKA：

2.73±0.10

Computed Properties

Molecular Weight:193.25
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:193.121512110
Monoisotopic Mass:193.121512110
Topological Polar Surface Area:47.8
Heavy Atom Count:14
Complexity:208
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1H-1,2,4-triazol-1-ylmethyl)cycloheptanone(SALTDATA:FREE)

Basic Attributes
Characteristics
Computed Properties

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