200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 126550-69-4
126550-69-4 | 1H-Isoindole-1,3(2H)-dione, 2-[1-[(phenylmethoxy)methyl]-4-penten-1-yl]-
CAS No: 126550-69-4 Catalog No: AG000SXD MDL No:
Product Description
Catalog Number:
AG000SXD
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[1-[(phenylmethoxy)methyl]-4-penten-1-yl]-
CAS Number:
126550-69-4
Molecular Formula:
C21H21NO3
Molecular Weight:
335.3963
IUPAC Name:
2-(1-phenylmethoxyhex-5-en-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C21H21NO3/c1-2-3-11-17(15-25-14-16-9-5-4-6-10-16)22-20(23)18-12-7-8-13-19(18)21(22)24/h2,4-10,12-13,17H,1,3,11,14-15H2
InChI Key:
VSBRJHBMXJAKCE-UHFFFAOYSA-N
SMILES:
C=CCCC(N1C(=O)c2c(C1=O)cccc2)COCc1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.403g/mol
Monoisotopic Mass:
335.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.