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148625-77-8 | 1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S)-
CAS No: 148625-77-8 Catalog No: AG001L3F MDL No:MFCD00235942
Product Description
Catalog Number:
AG001L3F
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S)-
CAS Number:
148625-77-8
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
MDL Number:
MFCD00235942
IUPAC Name:
9H-fluoren-9-ylmethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C20H21NO3/c22-12-14-6-5-11-21(14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2/t14-/m0/s1
InChI Key:
HJUXXCOVGMCKQL-AWEZNQCLSA-N
SMILES:
OC[C@@H]1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.392g/mol
Monoisotopic Mass:
323.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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