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10154-71-9,MFCD00010141
Catalog No.:AA0004OH
10154-71-9 | 3-(Phenylsulfonyl)propanoic acid
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1g
98%(HPLC)
in stock  
$65.00   $45.00
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5g
98%(HPLC)
in stock  
$130.00   $91.00
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25g
98%(HPLC)
in stock  
$454.00   $318.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0004OH
Chemical Name:
3-(Phenylsulfonyl)propanoic acid
CAS Number:
10154-71-9
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD00010141
IUPAC Name:
3-(benzenesulfonyl)propanoic acid
InChI:
InChI=1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key:
WGTYYNCSWCKXAI-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
3-(Phenylsulfonyl)propanoic acid 
10154-71-9 
ACMC-1BPV9 
AC1Q6UP1 
AC1Q75QC 
Oprea1_677351 
3-phenylsulfonylpropanoic acid 
3-phenylsulfonylpropionic acid 
MLS004820313 
SCHEMBL1001018 
KS-00003SJG 
DTXSID30339294 
3-(Phenylsulfonyl)propionic acid 
3-(Phenylsulphonyl)propanoic acid 
HMS1408B15 
ZINC245034 
3-(Phenylsulfonyl)propanoic acid # 
ALBB-009418 
0409AA 
ANW-72609 
BBL008675 
MFCD00010141 
SBB015222 
3-(benzenesulfonyl)propanoic acid 
STK398322 
AKOS000195530 
ACN-048965 
CCG-103803 
MCULE-1689886413 
RP26812 
SDCCGMLS-0065396.P001 
3-(Phenylsulfonyl)propionic acid, 99% 
IDI1_007552 
AJ-18310 
3-Benzenesulfonyl-propionic acid 
AK-32663 
SMR001335217 
TS-00444 
AB0135682 
TR-000393 
BB 0219366 
EU-0067914 
FT-0649948 
ST45255830 
W-6197 
3-[Phenylsulfonyl]propionic acid 
SR-01000397818 
I04-4296 
J-510928 
SR-01000397818-1 
Z56871817 
F0266-3532 
2-methyl-2H-indazol-7-amine 
C9H10O4S 
AR-1E7931 
CID555252 
WGTYYNCSWCKXAI-UHFFFAOYSA-N 
101626-68-0 
Propanoic acid, 3-(phenylsulfonyl)- 
Enamine_004965 
AC1LBC9S 
Literature
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