200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 828246-26-0
828246-26-0 | 2H-1,4-Benzoxazin-2-one, 3-ethyl-3,4-dihydro-3,5-dimethyl-
CAS No: 828246-26-0 Catalog No: AG005693 MDL No:
Product Description
Catalog Number:
AG005693
Chemical Name:
2H-1,4-Benzoxazin-2-one, 3-ethyl-3,4-dihydro-3,5-dimethyl-
CAS Number:
828246-26-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
3-ethyl-3,5-dimethyl-4H-1,4-benzoxazin-2-one
InChI:
InChI=1S/C12H15NO2/c1-4-12(3)11(14)15-9-7-5-6-8(2)10(9)13-12/h5-7,13H,4H2,1-3H3
InChI Key:
WTBCZZNTTJVHSR-UHFFFAOYSA-N
SMILES:
CCC1(C)Nc2c(C)cccc2OC1=O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.