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3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONICACID

3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONICACID structure

CAS No:
842977-00-8
Formula:
C8H13N3O2
Chemical Name:
3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONICACID
Synonyms:
TIMTEC-BB SBB010699;CHEMBRDG-BB 9070950;3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONIC ACID;AKOS BBS-00005914;3-(3,5-DIMETHYL-1H-1,2,4-TRIAZOL-1-YL)-2-METHYLPROPANOIC ACID;3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoic acid(SALTDATA: FREE);1H-1,2,4-Triazole-1-propanoic acid, α,3,5-trimethyl-;3-(Dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoic Acid

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3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONICACID Basic Attributes

Molecular Weight：

183.21

Exact Mass：

183.100776666

DSSTox ID：

DTXSID90390321

Characteristics

Density：

1.26±0.1 g/cm3

Boiling Point：

400.6±47.0 °C(Predicted)

PKA：

4.37±0.12

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:183.21
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:183.100776666
Monoisotopic Mass:183.100776666
Topological Polar Surface Area:68
Heavy Atom Count:13
Complexity:198
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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