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2-(Pyrimidin-2-yl)pyrimidine-5-carboxylicacid

2-(Pyrimidin-2-yl)pyrimidine-5-carboxylicacid structure

CAS No:
933191-25-4
Formula:
C9H6N4O2
Chemical Name:
2-(Pyrimidin-2-yl)pyrimidine-5-carboxylicacid
Synonyms:
2,2'-Bipyrimidine-5-carboxylic acid;2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid

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2-(Pyrimidin-2-yl)pyrimidine-5-carboxylicacid Basic Attributes

Molecular Weight：

202.17

Exact Mass：

202.04907545

DSSTox ID：

DTXSID60694267

HScode：

2933599090

Characteristics

PSA：

88.86000

XLogP3：

0.63180

Density：

1.442±0.06 g/cm3

Melting Point：

300～301℃

Boiling Point：

553.7±42.0 °C(Predicted)

PKA：

2.21±0.10

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:202.17
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:202.04907545
Monoisotopic Mass:202.04907545
Topological Polar Surface Area:88.9
Heavy Atom Count:15
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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