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67625-41-6 | Isoquinoline, 6-methoxy-7-propoxy-, hydrochloride
CAS No: 67625-41-6 Catalog No: AG005YB3 MDL No:
Product Description
Catalog Number:
AG005YB3
Chemical Name:
Isoquinoline, 6-methoxy-7-propoxy-, hydrochloride
CAS Number:
67625-41-6
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
IUPAC Name:
6-methoxy-7-propoxyisoquinoline;hydrochloride
InChI:
InChI=1S/C13H15NO2.ClH/c1-3-6-16-13-8-11-9-14-5-4-10(11)7-12(13)15-2;/h4-5,7-9H,3,6H2,1-2H3;1H
InChI Key:
YMUVMUSQGNBXMT-UHFFFAOYSA-N
SMILES:
CCCOc1cc2cnccc2cc1OC.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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