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18029-55-5 | Isoquinoline, 6,7-dimethoxy-4-methyl-
CAS No: 18029-55-5 Catalog No: AG0021VH MDL No:
Product Description
Catalog Number:
AG0021VH
Chemical Name:
Isoquinoline, 6,7-dimethoxy-4-methyl-
CAS Number:
18029-55-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
6,7-dimethoxy-4-methylisoquinoline
InChI:
InChI=1S/C12H13NO2/c1-8-6-13-7-9-4-11(14-2)12(15-3)5-10(8)9/h4-7H,1-3H3
InChI Key:
IWHLQUIHSISOFH-UHFFFAOYSA-N
SMILES:
COc1cc2c(C)cncc2cc1OC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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