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113397-46-9 | 2-Azetidinone, 3-hydroxy-3-methyl-1-(phenylmethyl)-
CAS No: 113397-46-9 Catalog No: AG0008F2 MDL No:
Product Description
Catalog Number:
AG0008F2
Chemical Name:
2-Azetidinone, 3-hydroxy-3-methyl-1-(phenylmethyl)-
CAS Number:
113397-46-9
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-benzyl-3-hydroxy-3-methylazetidin-2-one
InChI:
InChI=1S/C11H13NO2/c1-11(14)8-12(10(11)13)7-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChI Key:
DJWYNXNUALZQES-UHFFFAOYSA-N
SMILES:
O=C1N(CC1(C)O)Cc1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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