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91753-09-2 | Isoquinoline, 3,4-dihydro-1,6-dimethyl-
CAS No: 91753-09-2 Catalog No: AG006Q0X MDL No:
Product Description
Catalog Number:
AG006Q0X
Chemical Name:
Isoquinoline, 3,4-dihydro-1,6-dimethyl-
CAS Number:
91753-09-2
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
1,6-dimethyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C11H13N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h3-4,7H,5-6H2,1-2H3
InChI Key:
NOSDHGBETGBBTM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCN=C2C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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