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1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester

1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester structure

CAS No:
5932-30-9
Formula:
C12H12N2O2
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester
Synonyms:
1H-Pyrazole-3-carboxylic acid,5-phenyl-,ethyl ester;Pyrazole-3-carboxylic acid,5-phenyl-,ethyl ester;Pyrazole-3(or 5)-carboxylic acid,5(or 3)-phenyl-,ethyl ester;5-Phenyl-2H-pyrazole-3-carboxylic acid ethyl ester;Ethyl 3-phenyl-1H-pyrazole-5-carboxylate;Ethyl 5-phenyl-1H-pyrazole-3-carboxylate;5-Phenyl-1H-pyrazole-3-carboxylic acid ethyl ester;3-Ethoxycarbonyl-5-phenylpyrazole;1620849-64-0

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1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester Basic Attributes

Molecular Weight：

216.23600

Exact Mass：

216.24

DSSTox ID：

DTXSID30208057

Characteristics

PSA：

54.98000

XLogP3：

2.25340

Density：

1.196g/cm3

Melting Point：

140 °C

Boiling Point：

427.9ºC

Flash Point：

212.6ºC

Refractive Index：

1.575

Water Solubility：

10.7 [ug/mL]

Vapor Pressure：

1.58E-07mmHg at 25°C

Computed Properties

Molecular Weight:216.24
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:216.089877630
Monoisotopic Mass:216.089877630
Topological Polar Surface Area:55
Heavy Atom Count:16
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester

Basic Attributes
Characteristics
Computed Properties
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