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802876-38-6 | Isoquinoline, 8-ethoxy-2-ethyl-1,2,3,4-tetrahydro- (8CI)
CAS No: 802876-38-6 Catalog No: AG00G6IO MDL No:
Product Description
Catalog Number:
AG00G6IO
Chemical Name:
Isoquinoline, 8-ethoxy-2-ethyl-1,2,3,4-tetrahydro- (8CI)
CAS Number:
802876-38-6
IUPAC Name:
8-ethoxy-2-ethyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19NO/c1-3-14-9-8-11-6-5-7-13(15-4-2)12(11)10-14/h5-7H,3-4,8-10H2,1-2H3
InChI Key:
ILRHKOFQQFIGBK-UHFFFAOYSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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