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Home > Nitro Compounds > 89229-40-3
89229-40-3 | L-Proline, 1-[5-methoxy-2-nitro-4-(phenylmethoxy)benzoyl]-4-oxo-
CAS No: 89229-40-3 Catalog No: AG0042U5 MDL No:
Product Description
Catalog Number:
AG0042U5
Chemical Name:
L-Proline, 1-[5-methoxy-2-nitro-4-(phenylmethoxy)benzoyl]-4-oxo-
CAS Number:
89229-40-3
Molecular Formula:
C20H18N2O8
Molecular Weight:
414.3655
IUPAC Name:
1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)-4-oxopyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C20H18N2O8/c1-29-17-8-14(19(24)21-10-13(23)7-16(21)20(25)26)15(22(27)28)9-18(17)30-11-12-5-3-2-4-6-12/h2-6,8-9,16H,7,10-11H2,1H3,(H,25,26)
InChI Key:
JMBFQBUJQSUBBI-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)N2CC(=O)C[C@H]2C(=O)O)c(cc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.106g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.37g/mol
Monoisotopic Mass:
414.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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