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86457-01-4 | Isoquinoline, 3,4-dihydro-4-methyl-
CAS No: 86457-01-4 Catalog No: AG004X9Y MDL No:
Product Description
Catalog Number:
AG004X9Y
Chemical Name:
Isoquinoline, 3,4-dihydro-4-methyl-
CAS Number:
86457-01-4
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
IUPAC Name:
4-methyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,7-8H,6H2,1H3
InChI Key:
WYKKMLDQCFENNJ-UHFFFAOYSA-N
SMILES:
CC1CN=Cc2c1cccc2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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