200,000+ products from a single source!
sales@angenechem.com
87884-37-5 | Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)-
CAS No: 87884-37-5 Catalog No: AG004FXI MDL No:
Product Description
Catalog Number:
AG004FXI
Chemical Name:
Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)-
CAS Number:
87884-37-5
Molecular Formula:
C13H14N2O8
Molecular Weight:
326.2589
IUPAC Name:
[(2R)-3-ethoxy-2-methyl-3-oxopropyl] 3,5-dinitrobenzoate
InChI:
InChI=1S/C13H14N2O8/c1-3-22-12(16)8(2)7-23-13(17)9-4-10(14(18)19)6-11(5-9)15(20)21/h4-6,8H,3,7H2,1-2H3/t8-/m1/s1
InChI Key:
YDPJPKUAMFPKMR-MRVPVSSYSA-N
SMILES:
CCOC(=O)[C@@H](COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.261g/mol
Monoisotopic Mass:
326.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.