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167094-57-7 | Isoquinoline, 4-(5-hexen-1-yl)-3-methyl-
CAS No: 167094-57-7 Catalog No: AG001X4C MDL No:
Product Description
Catalog Number:
AG001X4C
Chemical Name:
Isoquinoline, 4-(5-hexen-1-yl)-3-methyl-
CAS Number:
167094-57-7
Molecular Formula:
C16H19N
Molecular Weight:
225.3288
IUPAC Name:
4-hex-5-enyl-3-methylisoquinoline
InChI:
InChI=1S/C16H19N/c1-3-4-5-6-10-15-13(2)17-12-14-9-7-8-11-16(14)15/h3,7-9,11-12H,1,4-6,10H2,2H3
InChI Key:
OTMKEOYYJVAHKR-UHFFFAOYSA-N
SMILES:
C=CCCCCc1c(C)ncc2c1cccc2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.335g/mol
Monoisotopic Mass:
225.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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