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1262409-80-2 | 1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester
CAS No: 1262409-80-2 Catalog No: AG000SE0 MDL No:MFCD18375156
Product Description
Catalog Number:
AG000SE0
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester
CAS Number:
1262409-80-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD18375156
IUPAC Name:
benzyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-13(16)7-8-14(10-13)12(15)17-9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3
InChI Key:
NNPKZONNGQHEFW-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)(C)O)OCc1ccccc1
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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