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102878-54-6 | Isoquinoline, 1,8-dimethyl-
CAS No: 102878-54-6 Catalog No: AG008699 MDL No:
Product Description
Catalog Number:
AG008699
Chemical Name:
Isoquinoline, 1,8-dimethyl-
CAS Number:
102878-54-6
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
IUPAC Name:
1,8-dimethylisoquinoline
InChI:
InChI=1S/C11H11N/c1-8-4-3-5-10-6-7-12-9(2)11(8)10/h3-7H,1-2H3
InChI Key:
SZDWUIFPFNPTPF-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(C)ncc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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