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Home > Nitro Compounds > 898777-59-8
898777-59-8 | ETHYL 5-(4-NITROPHENYL)-5-OXOVALERATE
CAS No: 898777-59-8 Catalog No: AG00H7ZO MDL No:MFCD02261335
Product Description
Catalog Number:
AG00H7ZO
Chemical Name:
ETHYL 5-(4-NITROPHENYL)-5-OXOVALERATE
CAS Number:
898777-59-8
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
MDL Number:
MFCD02261335
IUPAC Name:
ethyl 5-(4-nitrophenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H15NO5/c1-2-19-13(16)5-3-4-12(15)10-6-8-11(9-7-10)14(17)18/h6-9H,2-5H2,1H3
InChI Key:
PYDJNTHFFDADIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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