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10200-25-6 | Proline, 1-(2,4-dinitrophenyl)-
CAS No: 10200-25-6 Catalog No: AG0006A2 MDL No:
Product Description
Catalog Number:
AG0006A2
Chemical Name:
Proline, 1-(2,4-dinitrophenyl)-
CAS Number:
10200-25-6
Molecular Formula:
C11H11N3O6
Molecular Weight:
281.2215
IUPAC Name:
1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H11N3O6/c15-11(16)9-2-1-5-12(9)8-4-3-7(13(17)18)6-10(8)14(19)20/h3-4,6,9H,1-2,5H2,(H,15,16)
InChI Key:
MVZXUWLTGGBNHL-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
89618
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.224g/mol
Monoisotopic Mass:
281.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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