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19225-07-1 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-(4-morpholinylcarbonyl)-
CAS No: 19225-07-1 Catalog No: AG002FT1 MDL No:
Product Description
Catalog Number:
AG002FT1
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-(4-morpholinylcarbonyl)-
CAS Number:
19225-07-1
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
IUPAC Name:
4-hydroxy-3-(morpholine-4-carbonyl)chromen-2-one
InChI:
InChI=1S/C14H13NO5/c16-12-9-3-1-2-4-10(9)20-14(18)11(12)13(17)15-5-7-19-8-6-15/h1-4,16H,5-8H2
InChI Key:
SVTFTKLBKRZADH-UHFFFAOYSA-N
SMILES:
O=C(c1c(=O)oc2c(c1O)cccc2)N1CCOCC1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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