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955287-52-2 | 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPANE-1,3-DIOL
CAS No: 955287-52-2 Catalog No: AG00H927 MDL No:
Product Description
Catalog Number:
AG00H927
Chemical Name:
2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPANE-1,3-DIOL
CAS Number:
955287-52-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)propane-1,3-diol
InChI:
InChI=1S/C12H17NO2/c14-7-10(8-15)12-11-4-2-1-3-9(11)5-6-13-12/h1-4,10,12-15H,5-8H2
InChI Key:
GHSQHAKMLISTKD-UHFFFAOYSA-N
SMILES:
OCC(C1NCCc2c1cccc2)CO
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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