200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 112360-87-9
112360-87-9 | 1H-Imidazole, 1-[1-[2-(octyloxy)phenyl]ethenyl]-, ethanedioate (1:1)
CAS No: 112360-87-9 Catalog No: AG0082RQ MDL No:
Product Description
Catalog Number:
AG0082RQ
Chemical Name:
1H-Imidazole, 1-[1-[2-(octyloxy)phenyl]ethenyl]-, ethanedioate (1:1)
CAS Number:
112360-87-9
Molecular Formula:
C21H28N2O5
Molecular Weight:
388.4574
IUPAC Name:
1-[1-(2-octoxyphenyl)ethenyl]imidazole;oxalic acid
InChI:
InChI=1S/C19H26N2O.C2H2O4/c1-3-4-5-6-7-10-15-22-19-12-9-8-11-18(19)17(2)21-14-13-20-16-21;3-1(4)2(5)6/h8-9,11-14,16H,2-7,10,15H2,1H3;(H,3,4)(H,5,6)
InChI Key:
CSSMAVDJFOHXRD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCCCCCOc1ccccc1C(=C)n1cncc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.464g/mol
Monoisotopic Mass:
388.2g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.