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Home Carboxys 4H-1-Benzopyran-3-carboxylic acid, 2-amino-7-hydroxy-4-(3-pyridinyl)-,ethyl ester

4H-1-Benzopyran-3-carboxylic acid, 2-amino-7-hydroxy-4-(3-pyridinyl)-,ethyl ester

CAS No.:
332164-34-8
Catalog Number:
AG01C5U1
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
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Product Description
Catalog Number:
AG01C5U1
Chemical Name:
4H-1-Benzopyran-3-carboxylic acid, 2-amino-7-hydroxy-4-(3-pyridinyl)-,ethyl ester
CAS Number:
332164-34-8
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
MDL Number:
MFCD00581509
IUPAC Name:
ethyl 2-amino-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
InChI:
InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(10-4-3-7-19-9-10)12-6-5-11(20)8-13(12)23-16(15)18/h3-9,14,20H,2,18H2,1H3
InChI Key:
JOPNHSIHFSZJMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(N)Oc2c(C1c1cccnc1)ccc(c2)O
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.111g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.325g/mol
Monoisotopic Mass:
312.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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
Properties