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156088-46-9 | 2-Pyrrolidinone, 5-(hydroxymethyl)-3,3-dimethyl-, (5S)-
CAS No: 156088-46-9 Catalog No: AG001OIE MDL No:
Product Description
Catalog Number:
AG001OIE
Chemical Name:
2-Pyrrolidinone, 5-(hydroxymethyl)-3,3-dimethyl-, (5S)-
CAS Number:
156088-46-9
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
(5S)-5-(hydroxymethyl)-3,3-dimethylpyrrolidin-2-one
InChI:
InChI=1S/C7H13NO2/c1-7(2)3-5(4-9)8-6(7)10/h5,9H,3-4H2,1-2H3,(H,8,10)/t5-/m0/s1
InChI Key:
LAPMHIATPBRNHT-YFKPBYRVSA-N
SMILES:
OC[C@H]1NC(=O)C(C1)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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