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Home > Nitro Compounds > 6322-56-1
6322-56-1 | Ethanone, 1-(4-hydroxy-3-nitrophenyl)-
CAS No: 6322-56-1 Catalog No: AG00IB68 MDL No:MFCD00017002
Product Description
Catalog Number:
AG00IB68
Chemical Name:
Ethanone, 1-(4-hydroxy-3-nitrophenyl)-
CAS Number:
6322-56-1
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00017002
IUPAC Name:
1-(4-hydroxy-3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3
InChI Key:
MMNKVWGVSHRIJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)C(=O)C
NSC Number:
32113
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| The asymmetric synthesis of (R,R)-formoterol via transfer hydrogenation with polyethylene glycol bound Rh catalyst in PEG2000 and water. | Chirality 20100201 |
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