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Home > Nitro Compounds > 188407-82-1
188407-82-1 | Propanedioic acid, 2-methyl-2-(2-nitrophenoxy)-, 1-methyl ester, (2R)-
CAS No: 188407-82-1 Catalog No: AG002GVI MDL No:
Product Description
Catalog Number:
AG002GVI
Chemical Name:
Propanedioic acid, 2-methyl-2-(2-nitrophenoxy)-, 1-methyl ester, (2R)-
CAS Number:
188407-82-1
Molecular Formula:
C11H10NO7-
Molecular Weight:
268.1996
IUPAC Name:
(2R)-3-methoxy-2-methyl-2-(2-nitrophenoxy)-3-oxopropanoate
InChI:
InChI=1S/C11H11NO7/c1-11(9(13)14,10(15)18-2)19-8-6-4-3-5-7(8)12(16)17/h3-6H,1-2H3,(H,13,14)/p-1/t11-/m1/s1
InChI Key:
PLYVOZCGQKOEGR-LLVKDONJSA-M
SMILES:
COC(=O)[C@@](C(=O)[O-])(Oc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.201g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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