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137832-22-5 | 2H-1-Benzopyran-2-one, 7-[ethyl(1-hydroperoxyethyl)amino]-4-methyl-
CAS No: 137832-22-5 Catalog No: AG0013X3 MDL No:
Product Description
Catalog Number:
AG0013X3
Chemical Name:
2H-1-Benzopyran-2-one, 7-[ethyl(1-hydroperoxyethyl)amino]-4-methyl-
CAS Number:
137832-22-5
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
7-[ethyl(1-hydroperoxyethyl)amino]-4-methylchromen-2-one
InChI:
InChI=1S/C14H17NO4/c1-4-15(10(3)19-17)11-5-6-12-9(2)7-14(16)18-13(12)8-11/h5-8,10,17H,4H2,1-3H3
InChI Key:
RCTNBUUNZBIFOK-UHFFFAOYSA-N
SMILES:
OOC(N(c1ccc2c(c1)oc(=O)cc2C)CC)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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