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87190-47-4 | 5-Isoxazolidinecarboxylic acid, 2-methyl-3-phenyl-, methyl ester, cis-
CAS No: 87190-47-4 Catalog No: AG004NKW MDL No:
Product Description
Catalog Number:
AG004NKW
Chemical Name:
5-Isoxazolidinecarboxylic acid, 2-methyl-3-phenyl-, methyl ester, cis-
CAS Number:
87190-47-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl (3R,5S)-2-methyl-3-phenyl-1,2-oxazolidine-5-carboxylate
InChI:
InChI=1S/C12H15NO3/c1-13-10(9-6-4-3-5-7-9)8-11(16-13)12(14)15-2/h3-7,10-11H,8H2,1-2H3/t10-,11+/m1/s1
InChI Key:
YNOFIABBMDYBNA-MNOVXSKESA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](N(O1)C)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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