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1788065-51-9 | 2-Pyrrolidinone, 4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]-
CAS No: 1788065-51-9 Catalog No: AG0026DK MDL No:MFCD28502366
Product Description
Catalog Number:
AG0026DK
Chemical Name:
2-Pyrrolidinone, 4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]-
CAS Number:
1788065-51-9
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD28502366
IUPAC Name:
4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
InChI:
InChI=1S/C14H19NO2/c1-10(11-7-5-4-6-8-11)15-9-12(16)14(2,3)13(15)17/h4-8,10,12,16H,9H2,1-3H3/t10-,12?/m1/s1
InChI Key:
MEXMLZVUBYPCIG-RWANSRKNSA-N
SMILES:
C[C@@H](N1CC(C(C1=O)(C)C)O)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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