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84264-88-0 | Benzaldehyde, 4-(propylsulfonyl)-
CAS No: 84264-88-0 Catalog No: AG004U68 MDL No:
Product Description
Catalog Number:
AG004U68
Chemical Name:
Benzaldehyde, 4-(propylsulfonyl)-
CAS Number:
84264-88-0
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
4-propylsulfonylbenzaldehyde
InChI:
InChI=1S/C10H12O3S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3
InChI Key:
JULVABYJIFLMRJ-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1ccc(cc1)C=O
Properties
Complexity:
268
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:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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