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5-Hexynoicacid,2-(acetylamino)-

5-Hexynoicacid,2-(acetylamino)- structure

CAS No:
914367-68-3
Formula:
C8H11NO3
Chemical Name:
5-Hexynoicacid,2-(acetylamino)-
Synonyms:
5-Hexynoic acid, 2-(acetylamino)-;2-acetamidohex-5-ynoic acid

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5-Hexynoicacid,2-(acetylamino)- Basic Attributes

Molecular Weight：

169.18

Exact Mass：

169.074

Characteristics

PSA：

66.4

XLogP3：

0.38

Density：

1.164±0.06 g/cm3

Melting Point：

127-130 °C

Boiling Point：

413.6±40.0 °C(Predicted)

PKA：

3.48±0.10

Computed Properties

Molecular Weight:169.18
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:169.07389321
Monoisotopic Mass:169.07389321
Topological Polar Surface Area:66.4
Heavy Atom Count:12
Complexity:226
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Hexynoicacid,2-(acetylamino)-

Basic Attributes
Characteristics
Computed Properties

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