200,000+ products from a single source!
sales@angenechem.com
6960-47-0 | Propanedioic acid,2-(acetylamino)-2-[(2-nitrophenyl)methyl]-, 1,3-diethyl ester
CAS No: 6960-47-0 Catalog No: AG005K25 MDL No:
Product Description
Catalog Number:
AG005K25
Chemical Name:
Propanedioic acid,2-(acetylamino)-2-[(2-nitrophenyl)methyl]-, 1,3-diethyl ester
CAS Number:
6960-47-0
Molecular Formula:
C16H20N2O7
Molecular Weight:
352.3392
IUPAC Name:
diethyl 2-acetamido-2-[(2-nitrophenyl)methyl]propanedioate
InChI:
InChI=1S/C16H20N2O7/c1-4-24-14(20)16(17-11(3)19,15(21)25-5-2)10-12-8-6-7-9-13(12)18(22)23/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChI Key:
YITKHGMBUGYMPM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Cc1ccccc1[N+](=O)[O-])NC(=O)C
NSC Number:
69880
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.343g/mol
Monoisotopic Mass:
352.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^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.