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144024-38-4 | 1-Propanone, 3-(1,3-dioxolan-2-yl)-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-
CAS No: 144024-38-4 Catalog No: AG001IT2 MDL No:
Product Description
Catalog Number:
AG001IT2
Chemical Name:
1-Propanone, 3-(1,3-dioxolan-2-yl)-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-
CAS Number:
144024-38-4
Molecular Formula:
C16H17NO5S
Molecular Weight:
335.3749
IUPAC Name:
1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-one
InChI:
InChI=1S/C16H17NO5S/c18-15(6-7-16-21-10-11-22-16)13-8-9-17(12-13)23(19,20)14-4-2-1-3-5-14/h1-5,8-9,12,16H,6-7,10-11H2
InChI Key:
SQFQZKROTGJCSP-UHFFFAOYSA-N
SMILES:
O=C(c1ccn(c1)S(=O)(=O)c1ccccc1)CCC1OCCO1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.374g/mol
Monoisotopic Mass:
335.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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