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5-PYRAZOL-1-YLMETHYL-FURAN-2-CARBOXYLICACID

5-PYRAZOL-1-YLMETHYL-FURAN-2-CARBOXYLICACID structure

CAS No:
386736-99-8
Formula:
C9H8N2O3
Chemical Name:
5-PYRAZOL-1-YLMETHYL-FURAN-2-CARBOXYLICACID
Synonyms:
ART-CHEM-BB B001064;5-(1H-PYRAZOL-1-YLMETHYL)-2-FUROIC ACID;5-PYRAZOL-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID;AKOS B001064;AKOS MSC-0401;TIMTEC-BB SBB005610;5-(1H-pyrazol-1-ylmethyl)-2-furoic acid(SALTDATA: FREE);5-((1H-Pyrazol-1-yl)Methyl)furan-2-carboxylic acid

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5-PYRAZOL-1-YLMETHYL-FURAN-2-CARBOXYLICACID Basic Attributes

Molecular Weight：

192.17

Exact Mass：

192.05349212 g/mol

DSSTox ID：

DTXSID20354638

HScode：

2934999090

Characteristics

PSA：

68.26000

XLogP3：

1.22260

Density：

1.40±0.1 g/cm3

Boiling Point：

414.6±40.0 °C(Predicted)

Flash Point：

204.5ºC

PKA：

3.15±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:192.17
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:192.05349212
Monoisotopic Mass:192.05349212
Topological Polar Surface Area:68.3
Heavy Atom Count:14
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-PYRAZOL-1-YLMETHYL-FURAN-2-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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