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114056-75-6 | 5-Isoxazolidinol, 3-methyl-2-phenyl-
CAS No: 114056-75-6 Catalog No: AG000AFH MDL No:
Product Description
Catalog Number:
AG000AFH
Chemical Name:
5-Isoxazolidinol, 3-methyl-2-phenyl-
CAS Number:
114056-75-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
3-methyl-2-phenyl-1,2-oxazolidin-5-ol
InChI:
InChI=1S/C10H13NO2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3
InChI Key:
PNDDHMNOIIDOQZ-UHFFFAOYSA-N
SMILES:
CC1CC(ON1c1ccccc1)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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