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150038-76-9 | Propanamide, 2-(acetylamino)-N-methyl-, tetrahydrate, (2S)- (9CI)
CAS No: 150038-76-9 Catalog No: AG001M9Y MDL No:
Product Description
Catalog Number:
AG001M9Y
Chemical Name:
Propanamide, 2-(acetylamino)-N-methyl-, tetrahydrate, (2S)- (9CI)
CAS Number:
150038-76-9
Molecular Formula:
C6H20N2O6
Molecular Weight:
216.2328
IUPAC Name:
2-acetamido-N-methylpropanamide;tetrahydrate
InChI:
InChI=1S/C6H12N2O2.4H2O/c1-4(6(10)7-3)8-5(2)9;;;;/h4H,1-3H3,(H,7,10)(H,8,9);4*1H2
InChI Key:
UTPKOYIBSLJLOI-UHFFFAOYSA-N
SMILES:
CNC(=O)[C@@H](NC(=O)C)C.O.O.O.O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
216.234g/mol
Monoisotopic Mass:
216.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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