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2-[4-(METHANESULFONYL)PHENYL]-3-(TETRAHYDROPYRAN-4-YL)PROPIONICACID

2-[4-(METHANESULFONYL)PHENYL]-3-(TETRAHYDROPYRAN-4-YL)PROPIONICACID structure

CAS No:
745053-22-9
Formula:
C15H20O5S
Chemical Name:
2-[4-(METHANESULFONYL)PHENYL]-3-(TETRAHYDROPYRAN-4-YL)PROPIONICACID
Synonyms:
2-[4-(METHANESULFONYL)PHENYL]-3-(TETRAHYDROPYRAN-4-YL)PROPIONIC ACID;2-(4-(Methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)propanoic acid;2H-Pyran-4-propanoic acid, tetrahydro-α-[4-(methylsulfonyl)phenyl]-

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2-[4-(METHANESULFONYL)PHENYL]-3-(TETRAHYDROPYRAN-4-YL)PROPIONICACID Basic Attributes

Molecular Weight：

312.38

Exact Mass：

312.10314491

DSSTox ID：

DTXSID30610712

Characteristics

Density：

1.252±0.06 g/cm3

Melting Point：

217 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))

Boiling Point：

526.3±46.0 °C(Predicted)

PKA：

3.84±0.10

Computed Properties

Molecular Weight:312.4
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:312.10314491
Monoisotopic Mass:312.10314491
Topological Polar Surface Area:89
Heavy Atom Count:21
Complexity:439
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(METHANESULFONYL)PHENYL]-3-(TETRAHYDROPYRAN-4-YL)PROPIONICACID

Basic Attributes
Characteristics
Computed Properties

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