200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 844438-14-8
844438-14-8 | 2(5H)-Furanone, 5-[2-[(4-nitrophenyl)methylene]-3-oxobutyl]-
CAS No: 844438-14-8 Catalog No: AG0055NQ MDL No:
Product Description
Catalog Number:
AG0055NQ
Chemical Name:
2(5H)-Furanone, 5-[2-[(4-nitrophenyl)methylene]-3-oxobutyl]-
CAS Number:
844438-14-8
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
2-[2-[(4-nitrophenyl)methylidene]-3-oxobutyl]-2H-furan-5-one
InChI:
InChI=1S/C15H13NO5/c1-10(17)12(9-14-6-7-15(18)21-14)8-11-2-4-13(5-3-11)16(19)20/h2-8,14H,9H2,1H3
InChI Key:
DFQFFSFUZQLRQG-UHFFFAOYSA-N
SMILES:
O=C1C=CC(O1)CC(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.