200,000+ products from a single source!
sales@angenechem.com
100717-88-2 | 1H-Indole-3-acetic acid, 1-ethyl-, ethyl ester
CAS No: 100717-88-2 Catalog No: AG0002PI MDL No:
Product Description
Catalog Number:
AG0002PI
Chemical Name:
1H-Indole-3-acetic acid, 1-ethyl-, ethyl ester
CAS Number:
100717-88-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
ethyl 2-(1-ethylindol-3-yl)acetate
InChI:
InChI=1S/C14H17NO2/c1-3-15-10-11(9-14(16)17-4-2)12-7-5-6-8-13(12)15/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
OPEYZOHITGSXLR-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cn(c2c1cccc2)CC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.