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141172-68-1 | 2-Azetidinone, 1-acetyl-3,3,4-trimethyl-4-phenyl-, (S)- (9CI)
CAS No: 141172-68-1 Catalog No: AG001FZZ MDL No:
Product Description
Catalog Number:
AG001FZZ
Chemical Name:
2-Azetidinone, 1-acetyl-3,3,4-trimethyl-4-phenyl-, (S)- (9CI)
CAS Number:
141172-68-1
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
(4S)-1-acetyl-3,3,4-trimethyl-4-phenylazetidin-2-one
InChI:
InChI=1S/C14H17NO2/c1-10(16)15-12(17)13(2,3)14(15,4)11-8-6-5-7-9-11/h5-9H,1-4H3/t14-/m0/s1
InChI Key:
JBVMXDFNRGNBTN-AWEZNQCLSA-N
SMILES:
CC(=O)N1C(=O)C([C@]1(C)c1ccccc1)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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