200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 114567-83-8
114567-83-8 | 3-Buten-2-one, 4-[1-(phenylmethyl)-1H-indol-2-yl]-, (E)- (9CI)
CAS No: 114567-83-8 Catalog No: AG000EQ0 MDL No:
Product Description
Catalog Number:
AG000EQ0
Chemical Name:
3-Buten-2-one, 4-[1-(phenylmethyl)-1H-indol-2-yl]-, (E)- (9CI)
CAS Number:
114567-83-8
Molecular Formula:
C19H17NO
Molecular Weight:
275.3444
IUPAC Name:
4-(1-benzylindol-2-yl)but-3-en-2-one
InChI:
InChI=1S/C19H17NO/c1-15(21)11-12-18-13-17-9-5-6-10-19(17)20(18)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChI Key:
HXHSEEPLZOUDFA-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1cc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.351g/mol
Monoisotopic Mass:
275.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.