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439128-96-8 | 1-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-(3-METHOXYPHENOXY)PROPAN-2-OL
CAS No: 439128-96-8 Catalog No: AG01ATC5 MDL No:MFCD02069222
Product Description
Catalog Number:
AG01ATC5
Chemical Name:
1-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-(3-METHOXYPHENOXY)PROPAN-2-OL
CAS Number:
439128-96-8
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
MDL Number:
MFCD02069222
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
InChI:
InChI=1S/C19H23NO3/c1-22-18-7-4-8-19(11-18)23-14-17(21)13-20-10-9-15-5-2-3-6-16(15)12-20/h2-8,11,17,21H,9-10,12-14H2,1H3
InChI Key:
NYBUYXYXLYTMED-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)OCC(CN1CCc2c(C1)cccc2)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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