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3-(TERT-BUTOXYCARBONYLAMINO)-5-METHOXYISONICOTINICACID

3-(TERT-BUTOXYCARBONYLAMINO)-5-METHOXYISONICOTINICACID structure

CAS No:
709666-22-8
Formula:
C12H16N2O5
Chemical Name:
3-(TERT-BUTOXYCARBONYLAMINO)-5-METHOXYISONICOTINICACID
Synonyms:
3-(TERT-BUTOXYCARBONYLAMINO)-5-METHOXYISONICOTINIC ACID;3-Boc-amino-5-methoxy-isonicotinic acid;4-Pyridinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methoxy-

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3-(TERT-BUTOXYCARBONYLAMINO)-5-METHOXYISONICOTINICACID Basic Attributes

Molecular Weight：

268.27

Exact Mass：

268.10592162

DSSTox ID：

DTXSID50670116

HScode：

2933399090

Characteristics

PSA：

97.75000

XLogP3：

2.20840

Density：

1.288±0.06 g/cm3

Boiling Point：

420.1±45.0 °C(Predicted)

PKA：

1.36±0.36

Safety Information

Hazard category：

IRRITANT

wgk germany：

Computed Properties

Molecular Weight:268.27
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:268.10592162
Monoisotopic Mass:268.10592162
Topological Polar Surface Area:97.8
Heavy Atom Count:19
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(TERT-BUTOXYCARBONYLAMINO)-5-METHOXYISONICOTINICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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