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Home > Nitro Compounds > 773148-47-3
773148-47-3 | Propanedioic acid, [(1R)-2-nitro-1-phenylethyl]-, dimethyl ester
CAS No: 773148-47-3 Catalog No: AG00547I MDL No:
Product Description
Catalog Number:
AG00547I
Chemical Name:
Propanedioic acid, [(1R)-2-nitro-1-phenylethyl]-, dimethyl ester
CAS Number:
773148-47-3
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
IUPAC Name:
dimethyl 2-[(1R)-2-nitro-1-phenylethyl]propanedioate
InChI:
InChI=1S/C13H15NO6/c1-19-12(15)11(13(16)20-2)10(8-14(17)18)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-/m0/s1
InChI Key:
IBGOYXMLFPKRDY-JTQLQIEISA-N
SMILES:
COC(=O)C([C@H](c1ccccc1)C[N+](=O)[O-])C(=O)OC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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