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1217849-05-2 | 1-Pyrrolidinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1217849-05-2 Catalog No: AG00160B MDL No:
Product Description
Catalog Number:
AG00160B
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1217849-05-2
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
tert-butyl (3S)-3-phenylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-10-9-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChI Key:
REGWJCQNMMXFBM-CYBMUJFWSA-N
SMILES:
O=C(N1CC[C@H](C1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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