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113437-10-8 | 2-Azetidinone, 3-methyl-1-(2-phenylethyl)-4-propyl-, cis- (9CI)
CAS No: 113437-10-8 Catalog No: AG0008LP MDL No:
Product Description
Catalog Number:
AG0008LP
Chemical Name:
2-Azetidinone, 3-methyl-1-(2-phenylethyl)-4-propyl-, cis- (9CI)
CAS Number:
113437-10-8
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(3S,4R)-3-methyl-1-(2-phenylethyl)-4-propylazetidin-2-one
InChI:
InChI=1S/C15H21NO/c1-3-7-14-12(2)15(17)16(14)11-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3/t12-,14+/m0/s1
InChI Key:
AIOUXNBGOLEFBE-GXTWGEPZSA-N
SMILES:
CCC[C@@H]1[C@H](C)C(=O)N1CCc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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