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441298-21-1 | cis-N-Boc-pyrrolidine-3,4-dicarboxylic acid
CAS No: 441298-21-1 Catalog No: AG01FB3J MDL No:
Product Description
Catalog Number:
AG01FB3J
Chemical Name:
cis-N-Boc-pyrrolidine-3,4-dicarboxylic acid
CAS Number:
441298-21-1
Molecular Formula:
C11H17NO6
Molecular Weight:
259.2558
IUPAC Name:
(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid
InChI:
InChI=1S/C11H17NO6/c1-11(2,3)18-10(17)12-4-6(8(13)14)7(5-12)9(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7+
InChI Key:
CEWHNBGJGPXFED-KNVOCYPGSA-N
SMILES:
O=C(N1C[C@H]([C@H](C1)C(=O)O)C(=O)O)OC(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.258g/mol
Monoisotopic Mass:
259.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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