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2-Propenoicacid,2-cyano-3-(4-fluorophenyl)-,(2E)-

2-Propenoicacid,2-cyano-3-(4-fluorophenyl)-,(2E)- structure

CAS No:
122520-74-5
Formula:
C10H6FNO2
Chemical Name:
2-Propenoicacid,2-cyano-3-(4-fluorophenyl)-,(2E)-
Synonyms:
2-Propenoic acid, 2-cyano-3-(4-fluorophenyl)-, (2E)-;2-cyano-3-(4-fluorophenyl)prop-2-enoic acid

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2-Propenoicacid,2-cyano-3-(4-fluorophenyl)-,(2E)- Basic Attributes

Molecular Weight：

191.16

Exact Mass：

191.03825660 g/mol

NSC Number：

638135

Characteristics

PSA：

61.1 Å²

XLogP3：

1.81728

Density：

1.375±0.06 g/cm3

Melting Point：

170 °C

Boiling Point：

336.0±32.0 °C(Predicted)

PKA：

0.63±0.10

Computed Properties

Molecular Weight:191.16
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:191.03825660
Monoisotopic Mass:191.03825660
Topological Polar Surface Area:61.1
Heavy Atom Count:14
Complexity:295
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Propenoicacid,2-cyano-3-(4-fluorophenyl)-,(2E)-

Basic Attributes
Characteristics
Computed Properties

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