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10234-80-7 | 3-Pyrazolidinone, 1-methyl-
CAS No: 10234-80-7 Catalog No: AG00078N MDL No:
Product Description
Catalog Number:
AG00078N
Chemical Name:
3-Pyrazolidinone, 1-methyl-
CAS Number:
10234-80-7
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
IUPAC Name:
1-methylpyrazolidin-3-one
InChI:
InChI=1S/C4H8N2O/c1-6-3-2-4(7)5-6/h2-3H2,1H3,(H,5,7)
InChI Key:
JKZWEWZMYSBQME-UHFFFAOYSA-N
SMILES:
CN1CCC(=O)N1
Properties
Complexity:
91.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.064g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.121g/mol
Monoisotopic Mass:
100.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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