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Home > Nitro Compounds > 84611-16-5
84611-16-5 | b-Alanine, N-(3-nitrobenzoyl)-, ethyl ester
CAS No: 84611-16-5 Catalog No: AG00IDEW MDL No:
Product Description
Catalog Number:
AG00IDEW
Chemical Name:
b-Alanine, N-(3-nitrobenzoyl)-, ethyl ester
CAS Number:
84611-16-5
IUPAC Name:
ethyl 3-[(3-nitrobenzoyl)amino]propanoate
InChI:
InChI=1S/C12H14N2O5/c1-2-19-11(15)6-7-13-12(16)9-4-3-5-10(8-9)14(17)18/h3-5,8H,2,6-7H2,1H3,(H,13,16)
InChI Key:
VMECXIISUIPJEH-UHFFFAOYSA-N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.253g/mol
Monoisotopic Mass:
266.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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