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832104-36-6 | Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
CAS No: 832104-36-6 Catalog No: AG008J25 MDL No:
Product Description
Catalog Number:
AG008J25
Chemical Name:
Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
CAS Number:
832104-36-6
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
IUPAC Name:
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzenesulfonic acid
InChI:
InChI=1S/C16H15NO4S/c18-22(19,20)15-9-5-4-8-14(15)16-17-13(11-21-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19,20)/t13-/m0/s1
InChI Key:
UPCSFAPOZOWKBR-ZDUSSCGKSA-N
SMILES:
OS(=O)(=O)c1ccccc1C1=N[C@H](CO1)Cc1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.359g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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