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878427-52-2 | N-[(5-FORMYL-2-FURYL)METHYL]-N-METHYLMETHANESULFONAMIDE
CAS No: 878427-52-2 Catalog No: AG008CL7 MDL No:MFCD07186524
Product Description
Catalog Number:
AG008CL7
Chemical Name:
N-[(5-FORMYL-2-FURYL)METHYL]-N-METHYLMETHANESULFONAMIDE
CAS Number:
878427-52-2
Molecular Formula:
C8H11NO4S
Molecular Weight:
217.2422
MDL Number:
MFCD07186524
IUPAC Name:
N-[(5-formylfuran-2-yl)methyl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C8H11NO4S/c1-9(14(2,11)12)5-7-3-4-8(6-10)13-7/h3-4,6H,5H2,1-2H3
InChI Key:
QPAHVGJSSMSJPL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)CN(S(=O)(=O)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.239g/mol
Monoisotopic Mass:
217.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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