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85888-78-4 | 2-Propenamide, N-[[[3-(ethenylsulfonyl)-1-oxopropyl]amino]methyl]-
CAS No: 85888-78-4 Catalog No: AG004NHZ MDL No:
Product Description
Catalog Number:
AG004NHZ
Chemical Name:
2-Propenamide, N-[[[3-(ethenylsulfonyl)-1-oxopropyl]amino]methyl]-
CAS Number:
85888-78-4
Molecular Formula:
C9H14N2O4S
Molecular Weight:
246.2835
IUPAC Name:
3-ethenylsulfonyl-N-[(prop-2-enoylamino)methyl]propanamide
InChI:
InChI=1S/C9H14N2O4S/c1-3-8(12)10-7-11-9(13)5-6-16(14,15)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13)
InChI Key:
BLLXQYQODMOXJB-UHFFFAOYSA-N
SMILES:
C=CC(=O)NCNC(=O)CCS(=O)(=O)C=C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.281g/mol
Monoisotopic Mass:
246.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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