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5-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLICACID

5-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLICACID structure

CAS No:
312310-14-8
Formula:
C11H12N2O3
Chemical Name:
5-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLICACID
Synonyms:
ART-CHEM-BB B001067;ASINEX-REAG BAS 08302059;5-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID;5-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-2-FUROIC ACID;AKOS PAO-0022;AKOS B001067;TIMTEC-BB SBB009193;5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid(SALTDATA: FREE)

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5-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLICACID Basic Attributes

Molecular Weight：

220.22

Exact Mass：

220.08479225 g/mol

DSSTox ID：

DTXSID20349721

HScode：

2934999090

Characteristics

PSA：

68.26000

XLogP3：

1.83940

Density：

1.31±0.1 g/cm3

Boiling Point：

417.0±45.0 °C(Predicted)

Flash Point：

206ºC

Refractive Index：

1.607

PKA：

3.19±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Xi,Xn

Computed Properties

Molecular Weight:220.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:220.08479225
Monoisotopic Mass:220.08479225
Topological Polar Surface Area:68.3
Heavy Atom Count:16
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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