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851040-36-3 | Isoquinoline, 1,2,3,4-tetrahydro-2-(2-methoxyethyl)-
CAS No: 851040-36-3 Catalog No: AG004REJ MDL No:
Product Description
Catalog Number:
AG004REJ
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(2-methoxyethyl)-
CAS Number:
851040-36-3
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17NO/c1-14-9-8-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3
InChI Key:
SZZCXBDPQVOLHE-UHFFFAOYSA-N
SMILES:
COCCN1CCc2c(C1)cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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