200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 136685-35-3
136685-35-3 | 3-Penten-2-one, 5-(1H-indol-3-yl)-, (E)- (9CI)
CAS No: 136685-35-3 Catalog No: AG00127R MDL No:
Product Description
Catalog Number:
AG00127R
Chemical Name:
3-Penten-2-one, 5-(1H-indol-3-yl)-, (E)- (9CI)
CAS Number:
136685-35-3
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
5-(1H-indol-3-yl)pent-3-en-2-one
InChI:
InChI=1S/C13H13NO/c1-10(15)5-4-6-11-9-14-13-8-3-2-7-12(11)13/h2-5,7-9,14H,6H2,1H3
InChI Key:
YUVYQIGZURGQFH-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/Cc1c[nH]c2c1cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.