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1231948-70-1 | Isoquinoline, 8-methoxy-1-methyl-
CAS No: 1231948-70-1 Catalog No: AG000K51 MDL No:MFCD23135635
Product Description
Catalog Number:
AG000K51
Chemical Name:
Isoquinoline, 8-methoxy-1-methyl-
CAS Number:
1231948-70-1
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD23135635
IUPAC Name:
8-methoxy-1-methylisoquinoline
InChI:
InChI=1S/C11H11NO/c1-8-11-9(6-7-12-8)4-3-5-10(11)13-2/h3-7H,1-2H3
InChI Key:
KRTRYLDNEKLDSZ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(C)ncc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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