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Home > Nitro Compounds > 92050-07-2
92050-07-2 | 1-(4-methoxyphenyl)-4-methyl-4-nitropentan-1-one
CAS No: 92050-07-2 Catalog No: AG00IQ1P MDL No:MFCD01936383
Product Description
Catalog Number:
AG00IQ1P
Chemical Name:
1-(4-methoxyphenyl)-4-methyl-4-nitropentan-1-one
CAS Number:
92050-07-2
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD01936383
IUPAC Name:
1-(4-methoxyphenyl)-4-methyl-4-nitropentan-1-one
InChI:
InChI=1S/C13H17NO4/c1-13(2,14(16)17)9-8-12(15)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3
InChI Key:
GSCFVLPLFWNRMX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCC([N+](=O)[O-])(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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