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200184-60-7 | 1,2-Pyrrolidinedicarboxylic acid, 4-methylene-, 2-methyl 1-(phenylmethyl) ester, (2S)-
CAS No: 200184-60-7 Catalog No: AG002CLC MDL No:
Product Description
Catalog Number:
AG002CLC
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-methylene-, 2-methyl 1-(phenylmethyl) ester, (2S)-
CAS Number:
200184-60-7
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
1-O-benzyl 2-O-methyl (2S)-4-methylidenepyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C15H17NO4/c1-11-8-13(14(17)19-2)16(9-11)15(18)20-10-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3/t13-/m0/s1
InChI Key:
PHWGPICRKIRWAG-ZDUSSCGKSA-N
SMILES:
COC(=O)[C@@H]1CC(=C)CN1C(=O)OCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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