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88014-13-5 | Isoquinoline, 1,2,3,4-tetrahydro-2-(2-hydroxy-1-oxopropyl)-
CAS No: 88014-13-5 Catalog No: AG004JUK MDL No:
Product Description
Catalog Number:
AG004JUK
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(2-hydroxy-1-oxopropyl)-
CAS Number:
88014-13-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropan-1-one
InChI:
InChI=1S/C12H15NO2/c1-9(14)12(15)13-7-6-10-4-2-3-5-11(10)8-13/h2-5,9,14H,6-8H2,1H3
InChI Key:
OMDGXPBIBVACBG-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)C(O)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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