Home Nitros 3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid

3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid

CAS No.:
1261894-05-6
Catalog Number:
AG000S43
Molecular Formula:
C14H9NO6
Molecular Weight:
287.2244
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG000S43
Chemical Name:
3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid
CAS Number:
1261894-05-6
Molecular Formula:
C14H9NO6
Molecular Weight:
287.2244
MDL Number:
MFCD18320318
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H9NO6/c16-14(17)10-3-9(4-11(5-10)15(18)19)8-1-2-12-13(6-8)21-7-20-12/h1-6H,7H2,(H,16,17)
InChI Key:
UXOUCOQRLOAZHY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc2c(c1)OCO2
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.043g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.227g/mol
Monoisotopic Mass:
287.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties