200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 307930-75-2
307930-75-2 | 1-Hexanone, 1,1'-(hexylidenedi-1H-pyrrole-5,2-diyl)bis- (9CI)
CAS No: 307930-75-2 Catalog No: AG0031AH MDL No:
Product Description
Catalog Number:
AG0031AH
Chemical Name:
1-Hexanone, 1,1'-(hexylidenedi-1H-pyrrole-5,2-diyl)bis- (9CI)
CAS Number:
307930-75-2
Molecular Formula:
C26H40N2O2
Molecular Weight:
412.6080
IUPAC Name:
1-[5-[1-(5-hexanoyl-1H-pyrrol-2-yl)hexyl]-1H-pyrrol-2-yl]hexan-1-one
InChI:
InChI=1S/C26H40N2O2/c1-4-7-10-13-20(21-16-18-23(27-21)25(29)14-11-8-5-2)22-17-19-24(28-22)26(30)15-12-9-6-3/h16-20,27-28H,4-15H2,1-3H3
InChI Key:
HNDYDUDZGVPKFC-UHFFFAOYSA-N
SMILES:
CCCCCC(c1ccc([nH]1)C(=O)CCCCC)c1ccc([nH]1)C(=O)CCCCC
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.309g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.618g/mol
Monoisotopic Mass:
412.309g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.