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Home Nitros 3-Methoxy-4-nitrobenzoic acid

3-Methoxy-4-nitrobenzoic acid

CAS No.:
5081-36-7
Catalog Number:
AG006VSS
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG006VSS
Chemical Name:
3-Methoxy-4-nitrobenzoic acid
CAS Number:
5081-36-7
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007353
IUPAC Name:
3-methoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
PWURRRRGLCVBMX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])C(=O)O
EC Number:
225-793-2
NSC Number:
148471
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates. ChemMedChem 20110801
CdSe quantum dots capped PAMAM dendrimer nanocomposites for sensing nitroaromatic compounds. Talanta 20110215
Properties