200,000+ products from a single source!
sales@angenechem.com
89401-26-3 | 1-Propanol, 2-(phenylmethoxy)-, 3,5-dinitrobenzoate, (R)-
CAS No: 89401-26-3 Catalog No: AG004X8C MDL No:
Product Description
Catalog Number:
AG004X8C
Chemical Name:
1-Propanol, 2-(phenylmethoxy)-, 3,5-dinitrobenzoate, (R)-
CAS Number:
89401-26-3
Molecular Formula:
C17H18N2O8
Molecular Weight:
378.3334
IUPAC Name:
3,5-dinitrobenzoic acid;2-phenylmethoxypropan-1-ol
InChI:
InChI=1S/C10H14O2.C7H4N2O6/c1-9(7-11)12-8-10-5-3-2-4-6-10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-6,9,11H,7-8H2,1H3;1-3H,(H,10,11)
InChI Key:
LQNKNIZHWCTBQX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-].OC[C@H](OCc1ccccc1)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.337g/mol
Monoisotopic Mass:
378.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.