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127321-51-1 | 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-
CAS No: 127321-51-1 Catalog No: AG000WX6 MDL No:MFCD00228056
Product Description
Catalog Number:
AG000WX6
Chemical Name:
2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-
CAS Number:
127321-51-1
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD00228056
IUPAC Name:
7-(diethylamino)-3-(hydroxymethyl)-4-methylchromen-2-one
InChI:
InChI=1S/C15H19NO3/c1-4-16(5-2)11-6-7-12-10(3)13(9-17)15(18)19-14(12)8-11/h6-8,17H,4-5,9H2,1-3H3
InChI Key:
XGPAGXKXJDKNMG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2C)CO)CC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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