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80997-96-2 | 1-Methylpyrrolidin-2-one sulfate
CAS No: 80997-96-2 Catalog No: AG0050HA MDL No:
Product Description
Catalog Number:
AG0050HA
Chemical Name:
1-Methylpyrrolidin-2-one sulfate
CAS Number:
80997-96-2
Molecular Formula:
C5H11NO5S
Molecular Weight:
197.2095
IUPAC Name:
1-methylpyrrolidin-2-one;sulfuric acid
InChI:
InChI=1S/C5H9NO.H2O4S/c1-6-4-2-3-5(6)7;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4)
InChI Key:
IUWNROWEFXANRF-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.O=C1CCCN1C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.205g/mol
Monoisotopic Mass:
197.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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