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1217814-62-4 | 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217814-62-4 Catalog No: AG0015ZY MDL No:MFCD07363495
Product Description
Catalog Number:
AG0015ZY
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[(2-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217814-62-4
Molecular Formula:
C17H21N2O6-
Molecular Weight:
349.3584
MDL Number:
MFCD07363495
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22N2O6/c1-16(2,3)25-15(22)18-10-6-9-17(18,14(20)21)11-12-7-4-5-8-13(12)19(23)24/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI Key:
ZXZASBNTHVRNBK-KRWDZBQOSA-N
SMILES:
O=C(N1CCC[C@]1(Cc1ccccc1[N+](=O)[O-])C(=O)[O-])OC(C)(C)C
Properties
Complexity:
538
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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