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115852-10-3 | Isoquinoline, 6-methoxy-1,4-dimethyl-
CAS No: 115852-10-3 Catalog No: AG000GYW MDL No:
Product Description
Catalog Number:
AG000GYW
Chemical Name:
Isoquinoline, 6-methoxy-1,4-dimethyl-
CAS Number:
115852-10-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
6-methoxy-1,4-dimethylisoquinoline
InChI:
InChI=1S/C12H13NO/c1-8-7-13-9(2)11-5-4-10(14-3)6-12(8)11/h4-7H,1-3H3
InChI Key:
GOGVNTDQQMRHHA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)cnc2C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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