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116005-04-0 | 2H-1-Benzopyran-6-ol, 3-(dipropylamino)-3,4-dihydro-
CAS No: 116005-04-0 Catalog No: AG000BD3 MDL No:
Product Description
Catalog Number:
AG000BD3
Chemical Name:
2H-1-Benzopyran-6-ol, 3-(dipropylamino)-3,4-dihydro-
CAS Number:
116005-04-0
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
3-(dipropylamino)-3,4-dihydro-2H-chromen-6-ol
InChI:
InChI=1S/C15H23NO2/c1-3-7-16(8-4-2)13-9-12-10-14(17)5-6-15(12)18-11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
InChI Key:
COYBCQFIVNQGKW-UHFFFAOYSA-N
SMILES:
CCCN(C1COc2c(C1)cc(cc2)O)CCC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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