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128345-85-7 | 2-Pyrrolidinone, 3-dodecyl-1-propyl-
CAS No: 128345-85-7 Catalog No: AG000XZ1 MDL No:
Product Description
Catalog Number:
AG000XZ1
Chemical Name:
2-Pyrrolidinone, 3-dodecyl-1-propyl-
CAS Number:
128345-85-7
Molecular Formula:
C19H37NO
Molecular Weight:
295.5032
IUPAC Name:
3-dodecyl-1-propylpyrrolidin-2-one
InChI:
InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-17-20(16-4-2)19(18)21/h18H,3-17H2,1-2H3
InChI Key:
QFKWRKMYLBDRDB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1CCN(C1=O)CCC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.288g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.511g/mol
Monoisotopic Mass:
295.288g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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