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98237-14-0 | Isoquinoline, 1-[(3,5-dimethoxyphenyl)methyl]-
CAS No: 98237-14-0 Catalog No: AG00691K MDL No:
Product Description
Catalog Number:
AG00691K
Chemical Name:
Isoquinoline, 1-[(3,5-dimethoxyphenyl)methyl]-
CAS Number:
98237-14-0
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
1-[(3,5-dimethoxyphenyl)methyl]isoquinoline
InChI:
InChI=1S/C18H17NO2/c1-20-15-9-13(10-16(12-15)21-2)11-18-17-6-4-3-5-14(17)7-8-19-18/h3-10,12H,11H2,1-2H3
InChI Key:
DAZOEUNUVSUWDF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)Cc1nccc2c1cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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