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88493-69-0 | Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-5-(phenylmethoxy)-
CAS No: 88493-69-0 Catalog No: AG0049AP MDL No:
Product Description
Catalog Number:
AG0049AP
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-5-(phenylmethoxy)-
CAS Number:
88493-69-0
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
2-methyl-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C17H19NO/c1-18-11-10-16-15(12-18)8-5-9-17(16)19-13-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChI Key:
FCFDSUNZTJFEQJ-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)cccc2OCc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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