200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13414-95-4
13414-95-4 | 6,7-Dihydro-5H-benzo[b]thiophen-4-one
CAS No: 13414-95-4 Catalog No: AG003N0W MDL No:MFCD00005861
Product Description
Catalog Number:
AG003N0W
Chemical Name:
6,7-Dihydro-5H-benzo[b]thiophen-4-one
CAS Number:
13414-95-4
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD00005861
IUPAC Name:
6,7-dihydro-5H-1-benzothiophen-4-one
InChI:
InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChI Key:
GJEKNELSXNSYAQ-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccs2
EC Number:
236-510-7
NSC Number:
99002
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.