200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 922729-41-7
922729-41-7 | 1H-Pyrrole-2-carboxaldehyde, 5-(3,3-dimethyl-2-nitro-5-oxohexyl)-
CAS No: 922729-41-7 Catalog No: AG006LCQ MDL No:
Product Description
Catalog Number:
AG006LCQ
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-(3,3-dimethyl-2-nitro-5-oxohexyl)-
CAS Number:
922729-41-7
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
IUPAC Name:
5-(3,3-dimethyl-2-nitro-5-oxohexyl)-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H18N2O4/c1-9(17)7-13(2,3)12(15(18)19)6-10-4-5-11(8-16)14-10/h4-5,8,12,14H,6-7H2,1-3H3
InChI Key:
HWYINOMNNCOJEO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc([nH]1)CC(C(CC(=O)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.