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Home > Nitro Compounds > 820242-18-0
820242-18-0 | Propanedioic acid, methoxy[(1R)-2-nitro-1-phenylethyl]-, dimethyl ester
CAS No: 820242-18-0 Catalog No: AG00538L MDL No:
Product Description
Catalog Number:
AG00538L
Chemical Name:
Propanedioic acid, methoxy[(1R)-2-nitro-1-phenylethyl]-, dimethyl ester
CAS Number:
820242-18-0
Molecular Formula:
C14H17NO7
Molecular Weight:
311.2873
IUPAC Name:
dimethyl 2-methoxy-2-[(1R)-2-nitro-1-phenylethyl]propanedioate
InChI:
InChI=1S/C14H17NO7/c1-20-12(16)14(22-3,13(17)21-2)11(9-15(18)19)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChI Key:
VHFPKFDHBJXHKL-NSHDSACASA-N
SMILES:
COC(=O)C([C@H](c1ccccc1)C[N+](=O)[O-])(C(=O)OC)OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.29g/mol
Monoisotopic Mass:
311.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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