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15776-59-7 | 2H-1-Benzopyran-2-one, 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-, hydrochloride (1:1)
CAS No: 15776-59-7 Catalog No: AG001POQ MDL No:
Product Description
Catalog Number:
AG001POQ
Chemical Name:
2H-1-Benzopyran-2-one, 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-, hydrochloride (1:1)
CAS Number:
15776-59-7
Molecular Formula:
C16H22ClNO3
Molecular Weight:
311.8038
IUPAC Name:
3-[2-(diethylamino)ethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride
InChI:
InChI=1S/C16H21NO3.ClH/c1-4-17(5-2)9-8-14-11(3)13-7-6-12(18)10-15(13)20-16(14)19;/h6-7,10,18H,4-5,8-9H2,1-3H3;1H
InChI Key:
RLJNKMCFVQMDFR-UHFFFAOYSA-N
SMILES:
CCN(CCc1c(=O)oc2c(c1C)ccc(c2)O)CC.Cl
EC Number:
239-872-4
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.806g/mol
Monoisotopic Mass:
311.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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