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3-(4-METHANESULFONYLBENZOYL)PROPIONICACID

3-(4-METHANESULFONYLBENZOYL)PROPIONICACID structure

CAS No:
7028-79-7
Formula:
C11H12O5S
Chemical Name:
3-(4-METHANESULFONYLBENZOYL)PROPIONICACID
Synonyms:
3-(4-METHYLSULFONYLBENZOYL)PROPIONIC ACID;3-(4-Methylsulphonylbenzoyl)propionic acid;3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID;3-(4-METHANESULPHONYLBENZOYL)PROPIONIC ACID;4-(4-(METHYLSULFONYL)PHENYL)-4-OXOBUTANOIC ACID

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3-(4-METHANESULFONYLBENZOYL)PROPIONICACID Basic Attributes

Molecular Weight：

256.27500

Exact Mass：

256.04100

DSSTox ID：

DTXSID30345254

HScode：

2918300090

Characteristics

PSA：

96.89000

XLogP3：

2.21840

Density：

1.346g/cm3

Melting Point：

168-172ºC

Boiling Point：

541.5ºC at 760 mmHg

Flash Point：

281.3ºC

Refractive Index：

1.548

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Computed Properties

Molecular Weight:256.28
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:256.04054465
Monoisotopic Mass:256.04054465
Topological Polar Surface Area:96.9
Heavy Atom Count:17
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-METHANESULFONYLBENZOYL)PROPIONICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(4-METHANESULFONYLBENZOYL)PROPIONICACID

SDS

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