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54879-45-7 | Isoquinoline, 6,7,8-trimethoxy- (9CI)
CAS No: 54879-45-7 Catalog No: AG00DZ7Y MDL No:
Product Description
Catalog Number:
AG00DZ7Y
Chemical Name:
Isoquinoline, 6,7,8-trimethoxy- (9CI)
CAS Number:
54879-45-7
IUPAC Name:
6,7,8-trimethoxyisoquinoline
InChI:
InChI=1S/C12H13NO3/c1-14-10-6-8-4-5-13-7-9(8)11(15-2)12(10)16-3/h4-7H,1-3H3
InChI Key:
UPLOKTSIJATUTQ-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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