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Home > Nitro Compounds > 89435-80-3
89435-80-3 | Carbamic acid, [2-(1-oxopropoxy)ethyl]-, (4-nitrophenyl)methyl ester
CAS No: 89435-80-3 Catalog No: AG0044OP MDL No:
Product Description
Catalog Number:
AG0044OP
Chemical Name:
Carbamic acid, [2-(1-oxopropoxy)ethyl]-, (4-nitrophenyl)methyl ester
CAS Number:
89435-80-3
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
IUPAC Name:
2-[(4-nitrophenyl)methoxycarbonylamino]ethyl propanoate
InChI:
InChI=1S/C13H16N2O6/c1-2-12(16)20-8-7-14-13(17)21-9-10-3-5-11(6-4-10)15(18)19/h3-6H,2,7-9H2,1H3,(H,14,17)
InChI Key:
KQYQUCLLIDFHPB-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.279g/mol
Monoisotopic Mass:
296.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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