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[5-FURAN-2-YL-4-(2-METHYL-ALLYL)-4H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETICACID

[5-FURAN-2-YL-4-(2-METHYL-ALLYL)-4H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETICACID structure

CAS No:
307327-49-7
Formula:
C12H13N3O3S
Chemical Name:
[5-FURAN-2-YL-4-(2-METHYL-ALLYL)-4H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETICACID
Synonyms:
[5-FURAN-2-YL-4-(2-METHYL-ALLYL)-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETIC ACID;AKOS BBS-00003816;2-((5-(Furan-2-yl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid;Acetic acid, 2-[[5-(2-furanyl)-4-(2-methyl-2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-;2-{[5-(Furan-2-yl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic Acid

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[5-FURAN-2-YL-4-(2-METHYL-ALLYL)-4H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETICACID Basic Attributes

Molecular Weight：

279.31

Exact Mass：

279.06776246 g/mol

HScode：

2934999090

Characteristics

PSA：

106.45000

XLogP3：

2.29090

Density：

1.37±0.1 g/cm3

Boiling Point：

504.0±60.0 °C(Predicted)

Flash Point：

258.6ºC

PKA：

3.10±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:279.32
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:279.06776246
Monoisotopic Mass:279.06776246
Topological Polar Surface Area:106
Heavy Atom Count:19
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [5-FURAN-2-YL-4-(2-METHYL-ALLYL)-4H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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