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Home > Nitro Compounds > 87661-91-4
87661-91-4 | 4-acetyl-2-nitrophenyl pivalate
CAS No: 87661-91-4 Catalog No: AG00IEPS MDL No:
Product Description
Catalog Number:
AG00IEPS
Chemical Name:
4-acetyl-2-nitrophenyl pivalate
CAS Number:
87661-91-4
IUPAC Name:
(4-acetyl-2-nitrophenyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C13H15NO5/c1-8(15)9-5-6-11(10(7-9)14(17)18)19-12(16)13(2,3)4/h5-7H,1-4H3
InChI Key:
JATDOCLUHNJROO-UHFFFAOYSA-N
Properties
Complexity:
380
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:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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