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40134-07-4 | Isoquinoline, 7-methoxy-3-methyl- (9CI)
CAS No: 40134-07-4 Catalog No: AG00CLZ1 MDL No:MFCD18452254
Product Description
Catalog Number:
AG00CLZ1
Chemical Name:
Isoquinoline, 7-methoxy-3-methyl- (9CI)
CAS Number:
40134-07-4
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD18452254
IUPAC Name:
7-methoxy-3-methylisoquinoline
InChI:
InChI=1S/C11H11NO/c1-8-5-9-3-4-11(13-2)6-10(9)7-12-8/h3-7H,1-2H3
InChI Key:
UIBRIYQVQCXESP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cnc(c2)C
NSC Number:
111223
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:
2.7
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