200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 88098-18-4
88098-18-4 | 2-Butenoic acid, 4-(1H-indol-3-yl)-4-oxo-, 1,1-dimethylethyl ester, (E)-
CAS No: 88098-18-4 Catalog No: AG004J27 MDL No:
Product Description
Catalog Number:
AG004J27
Chemical Name:
2-Butenoic acid, 4-(1H-indol-3-yl)-4-oxo-, 1,1-dimethylethyl ester, (E)-
CAS Number:
88098-18-4
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
tert-butyl 4-(1H-indol-3-yl)-4-oxobut-2-enoate
InChI:
InChI=1S/C16H17NO3/c1-16(2,3)20-15(19)9-8-14(18)12-10-17-13-7-5-4-6-11(12)13/h4-10,17H,1-3H3
InChI Key:
IWANHTVDAXDGAK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)/C=C/C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.