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113709-43-6

113709-43-6 | 2-Azetidinone, 4-methyl-3-octyl-1-(phenylmethyl)-, cis- (9CI)

CAS No: 113709-43-6 Catalog No: AG0009F3 MDL No:

Product Description

Catalog Number:
AG0009F3
Chemical Name:
2-Azetidinone, 4-methyl-3-octyl-1-(phenylmethyl)-, cis- (9CI)
CAS Number:
113709-43-6
Molecular Formula:
C19H29NO
Molecular Weight:
287.4397
IUPAC Name:
1-benzyl-4-methyl-3-octylazetidin-2-one
InChI:
InChI=1S/C19H29NO/c1-3-4-5-6-7-11-14-18-16(2)20(19(18)21)15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3
InChI Key:
WJGWZZBZUGOWCL-UHFFFAOYSA-N
SMILES:
CCCCCCCC[C@H]1[C@@H](C)N(C1=O)Cc1ccccc1

Properties

Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.225g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.447g/mol
Monoisotopic Mass:
287.225g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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