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101067-47-4 | 2-Azetidinone, 1-(1-phenylethyl)-
CAS No: 101067-47-4 Catalog No: AG0003NG MDL No:
Product Description
Catalog Number:
AG0003NG
Chemical Name:
2-Azetidinone, 1-(1-phenylethyl)-
CAS Number:
101067-47-4
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
1-(1-phenylethyl)azetidin-2-one
InChI:
InChI=1S/C11H13NO/c1-9(12-8-7-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
QSOVXLAPMHZZKE-UHFFFAOYSA-N
SMILES:
CC(N1CCC1=O)c1ccccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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