200,000+ products from a single source!
sales@angenechem.com
828246-30-6 | 2H-1,4-Benzoxazine-3-carboxylic acid, 5-hydroxy-2-oxo-, ethyl ester
CAS No: 828246-30-6 Catalog No: AG004T3W MDL No:
Product Description
Catalog Number:
AG004T3W
Chemical Name:
2H-1,4-Benzoxazine-3-carboxylic acid, 5-hydroxy-2-oxo-, ethyl ester
CAS Number:
828246-30-6
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
ethyl 5-hydroxy-2-oxo-1,4-benzoxazine-3-carboxylate
InChI:
InChI=1S/C11H9NO5/c1-2-16-10(14)9-11(15)17-7-5-3-4-6(13)8(7)12-9/h3-5,13H,2H2,1H3
InChI Key:
FKIQUMREQSEZMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(O)cccc2oc1=O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^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.