200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 21735-28-4
21735-28-4 | 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester
CAS No: 21735-28-4 Catalog No: AG007PC0 MDL No:
Product Description
Catalog Number:
AG007PC0
Chemical Name:
2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester
CAS Number:
21735-28-4
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
ethyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate
InChI:
InChI=1S/C13H12N2O4/c1-2-19-13(16)12(15(17)18)7-9-8-14-11-6-4-3-5-10(9)11/h3-8,14H,2H2,1H3
InChI Key:
RZQBMPFLULFMPB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1c[nH]c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.