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131965-14-5 | Benzo[b]thiophene-6-methanol, α-[[3-(dimethylamino)propoxy]methyl]-
CAS No: 131965-14-5 Catalog No: AG000ZZD MDL No:
Product Description
Catalog Number:
AG000ZZD
Chemical Name:
Benzo[b]thiophene-6-methanol, α-[[3-(dimethylamino)propoxy]methyl]-
CAS Number:
131965-14-5
Molecular Formula:
C15H21NO2S
Molecular Weight:
279.3977
IUPAC Name:
1-(1-benzothiophen-6-yl)-2-[3-(dimethylamino)propoxy]ethanol
InChI:
InChI=1S/C15H21NO2S/c1-16(2)7-3-8-18-11-14(17)13-5-4-12-6-9-19-15(12)10-13/h4-6,9-10,14,17H,3,7-8,11H2,1-2H3
InChI Key:
MYEQGSQJPQAJRB-UHFFFAOYSA-N
SMILES:
CN(CCCOCC(c1ccc2c(c1)scc2)O)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.398g/mol
Monoisotopic Mass:
279.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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