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68408-65-1 | 2-Methyl-5-phenylisoxazolidine
CAS No: 68408-65-1 Catalog No: AG006KAS MDL No:
Product Description
Catalog Number:
AG006KAS
Chemical Name:
2-Methyl-5-phenylisoxazolidine
CAS Number:
68408-65-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
2-methyl-5-phenyl-1,2-oxazolidine
InChI:
InChI=1S/C10H13NO/c1-11-8-7-10(12-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
BOCOEDVUZOMDNN-UHFFFAOYSA-N
SMILES:
CN1CCC(O1)c1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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