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126997-07-7 | 2-Azetidinone, 4-(acetyloxy)-3,3-diethyl-
CAS No: 126997-07-7 Catalog No: AG000WI2 MDL No:
Product Description
Catalog Number:
AG000WI2
Chemical Name:
2-Azetidinone, 4-(acetyloxy)-3,3-diethyl-
CAS Number:
126997-07-7
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
(3,3-diethyl-4-oxoazetidin-2-yl) acetate
InChI:
InChI=1S/C9H15NO3/c1-4-9(5-2)7(12)10-8(9)13-6(3)11/h8H,4-5H2,1-3H3,(H,10,12)
InChI Key:
METIWGORERLVOW-UHFFFAOYSA-N
SMILES:
CCC1(CC)C(=O)NC1OC(=O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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