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3-(4-METHYLTHIOBENZOYL)PROPIONICACID

3-(4-METHYLTHIOBENZOYL)PROPIONICACID structure

CAS No:
7028-67-3
Formula:
C11H12O3S
Chemical Name:
3-(4-METHYLTHIOBENZOYL)PROPIONICACID
Synonyms:
3-(4-Methylthiobezoyl)propionic acid;3-(4-METHYLTHIOBENZOYL)PROPIONIC ACID;4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRIC ACID;4-[4-(METHYLTHIO)PHENYL]-4-OXOBUTANOIC ACID

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3-(4-METHYLTHIOBENZOYL)PROPIONICACID Basic Attributes

Molecular Weight：

224.27600

Exact Mass：

224.05100

DSSTox ID：

DTXSID00366315

HScode：

2930909090

Characteristics

PSA：

79.67000

XLogP3：

2.45600

Density：

1.26 g/cm3

Melting Point：

151-155ºC

Boiling Point：

442.4ºC at 760 mmHg

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:224.28
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:224.05071541
Monoisotopic Mass:224.05071541
Topological Polar Surface Area:79.7
Heavy Atom Count:15
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-METHYLTHIOBENZOYL)PROPIONICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(4-METHYLTHIOBENZOYL)PROPIONICACID

SDS

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