200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 22871-55-2
22871-55-2 | 3-(Ethoxycarbonyl);-5-nitrobenzoic acid
CAS No: 22871-55-2 Catalog No: AG003MXE MDL No:MFCD00130051
Product Description
Catalog Number:
AG003MXE
Chemical Name:
3-(Ethoxycarbonyl);-5-nitrobenzoic acid
CAS Number:
22871-55-2
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00130051
IUPAC Name:
3-ethoxycarbonyl-5-nitrobenzoic acid
InChI:
InChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
HOYHBDFTELAGGG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
EC Number:
245-273-9
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.