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Home > Nitro Compounds > 234450-52-3
234450-52-3 | β-Alanine, N-(3-nitro-4-pyridinyl)-, ethyl ester
CAS No: 234450-52-3 Catalog No: AG002N91 MDL No:
Product Description
Catalog Number:
AG002N91
Chemical Name:
β-Alanine, N-(3-nitro-4-pyridinyl)-, ethyl ester
CAS Number:
234450-52-3
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
ethyl 3-[(3-nitropyridin-4-yl)amino]propanoate
InChI:
InChI=1S/C10H13N3O4/c1-2-17-10(14)4-6-12-8-3-5-11-7-9(8)13(15)16/h3,5,7H,2,4,6H2,1H3,(H,11,12)
InChI Key:
AULABXFAZRCETQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCNc1ccncc1[N+](=O)[O-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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