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26513-80-4 | Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]-
CAS No: 26513-80-4 Catalog No: AG002TJ7 MDL No:MFCD03012223
Product Description
Catalog Number:
AG002TJ7
Chemical Name:
Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]-
CAS Number:
26513-80-4
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
MDL Number:
MFCD03012223
IUPAC Name:
2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzoic acid
InChI:
InChI=1S/C16H11NO5/c18-14-8-22-13-6-5-9(7-12(13)17-14)15(19)10-3-1-2-4-11(10)16(20)21/h1-7H,8H2,(H,17,18)(H,20,21)
InChI Key:
FPGWDOSSOOODIX-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.266g/mol
Monoisotopic Mass:
297.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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