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114092-92-1 | Butanal, 4-(phenylsulfonyl)-
CAS No: 114092-92-1 Catalog No: AG000AJM MDL No:
Product Description
Catalog Number:
AG000AJM
Chemical Name:
Butanal, 4-(phenylsulfonyl)-
CAS Number:
114092-92-1
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
4-(benzenesulfonyl)butanal
InChI:
InChI=1S/C10H12O3S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2
InChI Key:
ZPTNAXBNXGWDMI-UHFFFAOYSA-N
SMILES:
O=CCCCS(=O)(=O)c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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