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68301-78-0

68301-78-0 | 2-AMINO-6-METHOXY-4-OXO-4H-CHROMENE-3-CARBALDEHYDE

CAS No: 68301-78-0 Catalog No: AG005XCK MDL No:MFCD06356452

Product Description

Catalog Number:
AG005XCK
Chemical Name:
2-AMINO-6-METHOXY-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
CAS Number:
68301-78-0
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD06356452
IUPAC Name:
2-amino-6-methoxy-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C11H9NO4/c1-15-6-2-3-9-7(4-6)10(14)8(5-13)11(12)16-9/h2-5H,12H2,1H3
InChI Key:
FMYYFKHTWRVDSA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c(c(o2)N)C=O

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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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