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88422-85-9 | Isoquinoline, 3,4-dihydro-1,3-dimethyl-
CAS No: 88422-85-9 Catalog No: AG008CWP MDL No:
Product Description
Catalog Number:
AG008CWP
Chemical Name:
Isoquinoline, 3,4-dihydro-1,3-dimethyl-
CAS Number:
88422-85-9
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
1,3-dimethyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C11H13N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8H,7H2,1-2H3
InChI Key:
MFRSLKXLFAZRBP-UHFFFAOYSA-N
SMILES:
CC1Cc2ccccc2C(=N1)C
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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