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2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionicacid,98%

2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionicacid,98% structure

CAS No:
77269-66-0
Formula:
C11H12O4
Chemical Name:
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionicacid,98%
Synonyms:
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid, 98%;3-(1,3-Benzodioxol-5-yl)-2-methyl-propanoic acid;3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid;1,3-Benzodioxole-5-propanoic acid, α-methyl-;α- Methyl-1,?3-benzodioxole-?5-?propanoic Acid

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2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionicacid,98% Basic Attributes

Molecular Weight：

208.21

Exact Mass：

208.07355886

DSSTox ID：

DTXSID50599090

HScode：

2932999099

Characteristics

PSA：

55.76000

XLogP3：

1.67850

Density：

1.289±0.06 g/cm3

Melting Point：

77-80℃

Boiling Point：

351.1±11.0 °C(Predicted)

Flash Point：

138.452ºC

Refractive Index：

1.567

Water Solubility：

Slightly soluble in water.

PKA：

4.65±0.10

Computed Properties

Molecular Weight:208.21
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:15
Complexity:241
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionicacid,98%

Basic Attributes
Characteristics
Computed Properties

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