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660398-00-5 | Isoquinoline, 6,7-dimethoxy-5-(1-methylethoxy)-
CAS No: 660398-00-5 Catalog No: AG006L06 MDL No:
Product Description
Catalog Number:
AG006L06
Chemical Name:
Isoquinoline, 6,7-dimethoxy-5-(1-methylethoxy)-
CAS Number:
660398-00-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
6,7-dimethoxy-5-propan-2-yloxyisoquinoline
InChI:
InChI=1S/C14H17NO3/c1-9(2)18-13-11-5-6-15-8-10(11)7-12(16-3)14(13)17-4/h5-9H,1-4H3
InChI Key:
UOXMCNFUIJBKCV-UHFFFAOYSA-N
SMILES:
COc1cc2cnccc2c(c1OC)OC(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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