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Home > Nitro Compounds > 68133-25-5
68133-25-5 | 2-METHOXYETHYL N-(2-METHOXY-5-NITROPHENYL)-BETA-ALANINATE
CAS No: 68133-25-5 Catalog No: AG005MNT MDL No:
Product Description
Catalog Number:
AG005MNT
Chemical Name:
2-METHOXYETHYL N-(2-METHOXY-5-NITROPHENYL)-BETA-ALANINATE
CAS Number:
68133-25-5
Molecular Formula:
C13H18N2O6
Molecular Weight:
298.2918
IUPAC Name:
2-methoxyethyl 3-(2-methoxy-5-nitroanilino)propanoate
InChI:
InChI=1S/C13H18N2O6/c1-19-7-8-21-13(16)5-6-14-11-9-10(15(17)18)3-4-12(11)20-2/h3-4,9,14H,5-8H2,1-2H3
InChI Key:
DYSWWFSUVZDAHO-UHFFFAOYSA-N
SMILES:
COCCOC(=O)CCNc1cc(ccc1OC)[N+](=O)[O-]
EC Number:
268-668-8
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.295g/mol
Monoisotopic Mass:
298.116g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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