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28460-55-1 | Isoquinoline, 3,4-dihydro-3,3-dimethyl-
CAS No: 28460-55-1 Catalog No: AG002VDO MDL No:
Product Description
Catalog Number:
AG002VDO
Chemical Name:
Isoquinoline, 3,4-dihydro-3,3-dimethyl-
CAS Number:
28460-55-1
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
3,3-dimethyl-4H-isoquinoline
InChI:
InChI=1S/C11H13N/c1-11(2)7-9-5-3-4-6-10(9)8-12-11/h3-6,8H,7H2,1-2H3
InChI Key:
FXQNTOHRTXRWTM-UHFFFAOYSA-N
SMILES:
CC1(C)N=Cc2c(C1)cccc2
Properties
Complexity:
193
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:
1.9
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