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113437-12-0 | 2-Azetidinone, 3,3-dimethyl-1-(phenylmethyl)-4-propyl-
CAS No: 113437-12-0 Catalog No: AG0008LO MDL No:
Product Description
Catalog Number:
AG0008LO
Chemical Name:
2-Azetidinone, 3,3-dimethyl-1-(phenylmethyl)-4-propyl-
CAS Number:
113437-12-0
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-benzyl-3,3-dimethyl-4-propylazetidin-2-one
InChI:
InChI=1S/C15H21NO/c1-4-8-13-15(2,3)14(17)16(13)11-12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11H2,1-3H3
InChI Key:
GKWFTGWHVVIQLD-UHFFFAOYSA-N
SMILES:
CCCC1N(Cc2ccccc2)C(=O)C1(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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