200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 900014-99-5
900014-99-5 | 3-(5-methoxy-1H-indol-2-yl)-2-(methylsulfonyl)acrylonitrile
CAS No: 900014-99-5 Catalog No: AG00H20B MDL No:MFCD07021408
Product Description
Catalog Number:
AG00H20B
Chemical Name:
3-(5-methoxy-1H-indol-2-yl)-2-(methylsulfonyl)acrylonitrile
CAS Number:
900014-99-5
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
MDL Number:
MFCD07021408
IUPAC Name:
(E)-3-(5-methoxy-1H-indol-2-yl)-2-methylsulfonylprop-2-enenitrile
InChI:
InChI=1S/C13H12N2O3S/c1-18-11-3-4-13-9(6-11)5-10(15-13)7-12(8-14)19(2,16)17/h3-7,15H,1-2H3/b12-7+
InChI Key:
HIJQBHFXHYJFFM-KPKJPENVSA-N
SMILES:
N#C/C(=C\c1cc2c([nH]1)ccc(c2)OC)/S(=O)(=O)C
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.