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878276-58-5 | 2-Pyrrolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (3S,5S)-
CAS No: 878276-58-5 Catalog No: AG004H83 MDL No:
Product Description
Catalog Number:
AG004H83
Chemical Name:
2-Pyrrolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (3S,5S)-
CAS Number:
878276-58-5
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
(3S,5S)-5-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
InChI:
InChI=1S/C8H15NO2/c1-5(2)7-3-6(4-10)9-8(7)11/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t6-,7-/m0/s1
InChI Key:
MZARDIUTIFMTSJ-BQBZGAKWSA-N
SMILES:
OC[C@H]1NC(=O)[C@@H](C1)C(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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