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101156-90-5 | 5-Isoxazolidinecarboxylic acid, 5-methyl-2-(phenylmethyl)-, methyl ester
CAS No: 101156-90-5 Catalog No: AG0003UW MDL No:
Product Description
Catalog Number:
AG0003UW
Chemical Name:
5-Isoxazolidinecarboxylic acid, 5-methyl-2-(phenylmethyl)-, methyl ester
CAS Number:
101156-90-5
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
methyl 2-benzyl-5-methyl-1,2-oxazolidine-5-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-13(12(15)16-2)8-9-14(17-13)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
GMDAXMIDMSTJPY-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CCN(O1)Cc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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