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114145-40-3 | 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-ethoxy-
CAS No: 114145-40-3 Catalog No: AG000AON MDL No:
Product Description
Catalog Number:
AG000AON
Chemical Name:
2H-1-Benzopyran-2-one, 7-(diethylamino)-4-ethoxy-
CAS Number:
114145-40-3
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
7-(diethylamino)-4-ethoxychromen-2-one
InChI:
InChI=1S/C15H19NO3/c1-4-16(5-2)11-7-8-12-13(18-6-3)10-15(17)19-14(12)9-11/h7-10H,4-6H2,1-3H3
InChI Key:
BKTNEFMZEZEBGK-UHFFFAOYSA-N
SMILES:
CCOc1cc(=O)oc2c1ccc(c2)N(CC)CC
Properties
Complexity:
349
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:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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