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89221-27-2 | Isoquinoline, 5-methoxy-1,3-dimethyl-
CAS No: 89221-27-2 Catalog No: AG00440P MDL No:
Product Description
Catalog Number:
AG00440P
Chemical Name:
Isoquinoline, 5-methoxy-1,3-dimethyl-
CAS Number:
89221-27-2
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
5-methoxy-1,3-dimethylisoquinoline
InChI:
InChI=1S/C12H13NO/c1-8-7-11-10(9(2)13-8)5-4-6-12(11)14-3/h4-7H,1-3H3
InChI Key:
ZCGWDGHEBVMWRS-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc(C)nc2C
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:
2.9
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