200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89650-00-0
89650-00-0 | 1-Benzothiepin-5(2H)-one, 4-[(benzoyloxy)methylene]-3,4-dihydro-
CAS No: 89650-00-0 Catalog No: AG003VJE MDL No:
Product Description
Catalog Number:
AG003VJE
Chemical Name:
1-Benzothiepin-5(2H)-one, 4-[(benzoyloxy)methylene]-3,4-dihydro-
CAS Number:
89650-00-0
Molecular Formula:
C18H14O3S
Molecular Weight:
310.3670
IUPAC Name:
(5-oxo-2,3-dihydro-1-benzothiepin-4-ylidene)methyl benzoate
InChI:
InChI=1S/C18H14O3S/c19-17-14(10-11-22-16-9-5-4-8-15(16)17)12-21-18(20)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChI Key:
CPVWXKWSHQGEDJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC=C1CCSc2c(C1=O)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.367g/mol
Monoisotopic Mass:
310.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.