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4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID

4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID structure

CAS No:
81454-02-6
Formula:
C14H13NO5S
Chemical Name:
4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID
Synonyms:
4-oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]butanoic acid;4-Oxo-4-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)butanoic acid;4-Oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-butanoic acid;4-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]-4-oxobutanoic acid;C14H13NO5S;CTK5E8807;DTXSID70377478;ZINC153451;4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID;KS-000021JS

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4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID Basic Attributes

Molecular Weight：

307.32200

Exact Mass：

307.05100

DSSTox ID：

DTXSID70377478

HScode：

2933990090

Characteristics

PSA：

101.82000

XLogP3：

2.85340

Density：

1.37g/cm3

Melting Point：

124-127ºC

Boiling Point：

576.9ºC at 760 mmHg

Flash Point：

302.7ºC

Computed Properties

Molecular Weight:307.32
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:307.05144369
Monoisotopic Mass:307.05144369
Topological Polar Surface Area:102
Heavy Atom Count:21
Complexity:490
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID

Basic Attributes
Characteristics
Computed Properties

4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOICACID

SDS

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