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Home > Aldehydes > 919088-09-8
919088-09-8 | Benzaldehyde, 4-[4-[(methylsulfonyl)oxy]-1-butyn-1-yl]-
CAS No: 919088-09-8 Catalog No: AG0068ZS MDL No:
Product Description
Catalog Number:
AG0068ZS
Chemical Name:
Benzaldehyde, 4-[4-[(methylsulfonyl)oxy]-1-butyn-1-yl]-
CAS Number:
919088-09-8
Molecular Formula:
C12H12O4S
Molecular Weight:
252.2863
IUPAC Name:
4-(4-formylphenyl)but-3-ynyl methanesulfonate
InChI:
InChI=1S/C12H12O4S/c1-17(14,15)16-9-3-2-4-11-5-7-12(10-13)8-6-11/h5-8,10H,3,9H2,1H3
InChI Key:
YYRADVDVFLHNRY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#CCCOS(=O)(=O)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.284g/mol
Monoisotopic Mass:
252.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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