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Home > Nitro Compounds > 1217715-29-1
1217715-29-1 | Boc-(R)-alpha-(4-nitro-benzyl)-proline
CAS No: 1217715-29-1 Catalog No: AG00HGE9 MDL No:MFCD06796778
Product Description
Catalog Number:
AG00HGE9
Chemical Name:
Boc-(R)-alpha-(4-nitro-benzyl)-proline
CAS Number:
1217715-29-1
Molecular Formula:
C17H22N2O6
Molecular Weight:
350.3664
MDL Number:
MFCD06796778
IUPAC Name:
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22N2O6/c1-16(2,3)25-15(22)18-10-4-9-17(18,14(20)21)11-12-5-7-13(8-6-12)19(23)24/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1
InChI Key:
ZLAHSBNFIOYNRP-QGZVFWFLSA-N
SMILES:
O=C(N1CCC[C@@]1(Cc1ccc(cc1)[N+](=O)[O-])C(=O)O)OC(C)(C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.371g/mol
Monoisotopic Mass:
350.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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