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832104-33-3 | Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS No: 832104-33-3 Catalog No: AG008J26 MDL No:
Product Description
Catalog Number:
AG008J26
Chemical Name:
Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS Number:
832104-33-3
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
IUPAC Name:
2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonic acid
InChI:
InChI=1S/C12H15NO4S/c1-8(2)10-7-17-12(13-10)9-5-3-4-6-11(9)18(14,15)16/h3-6,8,10H,7H2,1-2H3,(H,14,15,16)/t10-/m1/s1
InChI Key:
BSXVDHOLWPEPDP-SNVBAGLBSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1S(=O)(=O)O)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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