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113791-30-3 | 2-Azetidinone, 3-hydroxy-4,4-dimethyl-1-(1-methylethyl)-3-phenyl-, (3S)-
CAS No: 113791-30-3 Catalog No: AG0009OR MDL No:
Product Description
Catalog Number:
AG0009OR
Chemical Name:
2-Azetidinone, 3-hydroxy-4,4-dimethyl-1-(1-methylethyl)-3-phenyl-, (3S)-
CAS Number:
113791-30-3
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
(3S)-3-hydroxy-4,4-dimethyl-3-phenyl-1-propan-2-ylazetidin-2-one
InChI:
InChI=1S/C14H19NO2/c1-10(2)15-12(16)14(17,13(15,3)4)11-8-6-5-7-9-11/h5-10,17H,1-4H3/t14-/m1/s1
InChI Key:
JPSJFSPZJNFLNV-CQSZACIVSA-N
SMILES:
CC(N1C(=O)[C@](C1(C)C)(O)c1ccccc1)C
Properties
Complexity:
318
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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