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1-(2-furyl)-4-methylpent-2-yne-1,4-diol

1-(2-furyl)-4-methylpent-2-yne-1,4-diol structure

CAS No:
99186-44-4
Formula:
C10H12O3
Chemical Name:
1-(2-furyl)-4-methylpent-2-yne-1,4-diol
Synonyms:
1-(2-furyl)-4-methylpent-2-yne-1,4-diol;2-Pentyne-1,4-diol, 1-(2-furanyl)-4-methyl-

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1-(2-furyl)-4-methylpent-2-yne-1,4-diol Basic Attributes

Molecular Weight：

180.2

Exact Mass：

180.079

Characteristics

PSA：

53.6

XLogP3：

1.0873

Density：

1.199±0.06 g/cm3

Melting Point：

59.5-60.5 °C

Boiling Point：

320.8±37.0 °C(Predicted)

PKA：

11.92±0.20

Computed Properties

Molecular Weight:180.20
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:53.6
Heavy Atom Count:13
Complexity:233
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: coco3; magnesium pyrophosphate formula; caprylic/capric triglyceride; potassium sulfide formula; benzyl bromide; cocl2

Guide of 1-(2-furyl)-4-methylpent-2-yne-1,4-diol

Basic Attributes
Characteristics
Computed Properties

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