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98661-42-8 | 2-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPANE-1,3-DIOL
CAS No: 98661-42-8 Catalog No: AG005U1L MDL No:
Product Description
Catalog Number:
AG005U1L
Chemical Name:
2-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPANE-1,3-DIOL
CAS Number:
98661-42-8
Molecular Formula:
C14H21NO4
Molecular Weight:
267.3208
IUPAC Name:
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1,3-diol
InChI:
InChI=1S/C14H21NO4/c1-18-12-5-9-3-4-15-14(10(7-16)8-17)11(9)6-13(12)19-2/h5-6,10,14-17H,3-4,7-8H2,1-2H3
InChI Key:
JAMRPMDONPSTSF-UHFFFAOYSA-N
SMILES:
OCC(C1NCCc2c1cc(OC)c(c2)OC)CO
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.325g/mol
Monoisotopic Mass:
267.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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