200,000+ products from a single source!
sales@angenechem.com
827599-14-4 | Ethanone, 1,1'-(2(3H)-benzoxazolylidene)bis-
CAS No: 827599-14-4 Catalog No: AG004UCN MDL No:
Product Description
Catalog Number:
AG004UCN
Chemical Name:
Ethanone, 1,1'-(2(3H)-benzoxazolylidene)bis-
CAS Number:
827599-14-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
1-(2-acetyl-3H-1,3-benzoxazol-2-yl)ethanone
InChI:
InChI=1S/C11H11NO3/c1-7(13)11(8(2)14)12-9-5-3-4-6-10(9)15-11/h3-6,12H,1-2H3
InChI Key:
HZSXSHNXCIOEJE-UHFFFAOYSA-N
SMILES:
CC(=O)C1(Nc2c(O1)cccc2)C(=O)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.