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145451-89-4 | 4-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-(phenylmethyl)-, methyl ester, (2R-cis)- (9CI)
CAS No: 145451-89-4 Catalog No: AG001D27 MDL No:
Product Description
Catalog Number:
AG001D27
Chemical Name:
4-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-(phenylmethyl)-, methyl ester, (2R-cis)- (9CI)
CAS Number:
145451-89-4
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
methyl (2R,4S)-3-benzyl-2-tert-butyl-1,3-oxazolidine-4-carboxylate
InChI:
InChI=1S/C16H23NO3/c1-16(2,3)15-17(10-12-8-6-5-7-9-12)13(11-20-15)14(18)19-4/h5-9,13,15H,10-11H2,1-4H3/t13-,15+/m0/s1
InChI Key:
ZTAOHROUZKWTRP-DZGCQCFKSA-N
SMILES:
COC(=O)[C@@H]1CO[C@@H](N1Cc1ccccc1)C(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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