200,000+ products from a single source!
sales@angenechem.com
124433-72-3 | 1H-Indole-3-butanoic acid, 4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl ester
CAS No: 124433-72-3 Catalog No: AG000M0Q MDL No:
Product Description
Catalog Number:
AG000M0Q
Chemical Name:
1H-Indole-3-butanoic acid, 4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl ester
CAS Number:
124433-72-3
Molecular Formula:
C22H21NO4
Molecular Weight:
363.4064
IUPAC Name:
[4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 4-(1H-indol-3-yl)butanoate
InChI:
InChI=1S/C22H21NO4/c1-26-21(24)14-11-16-9-12-18(13-10-16)27-22(25)8-4-5-17-15-23-20-7-3-2-6-19(17)20/h2-3,6-7,9-15,23H,4-5,8H2,1H3
InChI Key:
PZIUDSFKNZVTNC-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1ccc(cc1)OC(=O)CCCc1c[nH]c2c1cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.413g/mol
Monoisotopic Mass:
363.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.