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68528-29-0 | 5-[4-(Methylsulfonyl)phenyl]-2-furaldehyde
CAS No: 68528-29-0 Catalog No: AG01EWYB MDL No:
Product Description
Catalog Number:
AG01EWYB
Chemical Name:
5-[4-(Methylsulfonyl)phenyl]-2-furaldehyde
CAS Number:
68528-29-0
Molecular Formula:
C12H10O4S
Molecular Weight:
250.2704
IUPAC Name:
5-(4-methylsulfonylphenyl)furan-2-carbaldehyde
InChI:
InChI=1S/C12H10O4S/c1-17(14,15)11-5-2-9(3-6-11)12-7-4-10(8-13)16-12/h2-8H,1H3
InChI Key:
KCZSJEIWKZHLSN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.268g/mol
Monoisotopic Mass:
250.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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