200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 82439-15-4
82439-15-4 | but-2-enedioic acid; 4-(1-ethyl-3-piperidyl)-1H-indole
CAS No: 82439-15-4 Catalog No: AG00522J MDL No:
Product Description
Catalog Number:
AG00522J
Chemical Name:
but-2-enedioic acid; 4-(1-ethyl-3-piperidyl)-1H-indole
CAS Number:
82439-15-4
Molecular Formula:
C19H24N2O4
Molecular Weight:
344.4049
IUPAC Name:
(E)-but-2-enedioic acid;4-(1-ethylpiperidin-3-yl)-1H-indole
InChI:
InChI=1S/2C15H20N2.C4H4O4/c2*1-2-17-10-4-5-12(11-17)13-6-3-7-15-14(13)8-9-16-15;5-3(6)1-2-4(7)8/h2*3,6-9,12,16H,2,4-5,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChI Key:
GZNWCHJQORZRFC-WXXKFALUSA-N
SMILES:
OC(=O)C=CC(=O)O.CCN1CCCC(C1)c1cccc2c1cc[nH]2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
572.336g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
572.75g/mol
Monoisotopic Mass:
572.336g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.