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221118-65-6 | Isoquinoline, 1-methoxy-5-methyl- (9CI)
CAS No: 221118-65-6 Catalog No: AG00BUVV MDL No:
Product Description
Catalog Number:
AG00BUVV
Chemical Name:
Isoquinoline, 1-methoxy-5-methyl- (9CI)
CAS Number:
221118-65-6
IUPAC Name:
1-methoxy-5-methylisoquinoline
InChI:
InChI=1S/C11H11NO/c1-8-4-3-5-10-9(8)6-7-12-11(10)13-2/h3-7H,1-2H3
InChI Key:
SZSWAEYLSLBDDR-UHFFFAOYSA-N
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:
2.8
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