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2-TERT-BUTYL-ISONICOTINICACID

2-TERT-BUTYL-ISONICOTINICACID structure

CAS No:
91940-84-0
Formula:
C10H13NO2
Chemical Name:
2-TERT-BUTYL-ISONICOTINICACID
Synonyms:
OTAVA-BB BB7110952547;AKOS BBS-00006015;2-TERT-BUTYL-ISONICOTINIC ACID;2-tert-Butylpyridine-4-carboxylic acid;4-Pyridinecarboxylic acid, 2-(1,1-dimethylethyl)-

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2-TERT-BUTYL-ISONICOTINICACID Basic Attributes

Molecular Weight：

179.22

Exact Mass：

179.094628657 g/mol

DSSTox ID：

DTXSID80351209

HScode：

2933399090

Characteristics

PSA：

50.19000

XLogP3：

2.07730

Density：

1.107±0.06 g/cm3

Boiling Point：

355.5±30.0 °C(Predicted)

PKA：

2.05±0.10

Safety Information

safety instructions：

24/25

Computed Properties

Molecular Weight:179.22
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:179.094628657
Monoisotopic Mass:179.094628657
Topological Polar Surface Area:50.2
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-TERT-BUTYL-ISONICOTINICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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