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1217776-53-8 | 1,2-Pyrrolidinedicarboxylic acid, 2-[(3-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217776-53-8 Catalog No: AG0015YA MDL No:MFCD06796776
Product Description
Catalog Number:
AG0015YA
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[(3-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217776-53-8
Molecular Formula:
C17H21N2O6-
Molecular Weight:
349.3584
MDL Number:
MFCD06796776
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22N2O6/c1-16(2,3)25-15(22)18-9-5-8-17(18,14(20)21)11-12-6-4-7-13(10-12)19(23)24/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI Key:
QCJFCQDCHVZNDM-KRWDZBQOSA-N
SMILES:
O=C(N1CCC[C@]1(Cc1cccc(c1)[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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