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Home > Nitro Compounds > 89229-51-6
89229-51-6 | L-Proline, 1-[3-methoxy-2-nitro-6-(phenylmethoxy)benzoyl]-
CAS No: 89229-51-6 Catalog No: AG0042U3 MDL No:
Product Description
Catalog Number:
AG0042U3
Chemical Name:
L-Proline, 1-[3-methoxy-2-nitro-6-(phenylmethoxy)benzoyl]-
CAS Number:
89229-51-6
Molecular Formula:
C20H20N2O7
Molecular Weight:
400.3820
IUPAC Name:
1-(3-methoxy-2-nitro-6-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C20H20N2O7/c1-28-16-10-9-15(29-12-13-6-3-2-4-7-13)17(18(16)22(26)27)19(23)21-11-5-8-14(21)20(24)25/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,24,25)
InChI Key:
VJHRTTREGRJKBX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)O)OCc1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.127g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.387g/mol
Monoisotopic Mass:
400.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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