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1267282-60-9 | Isoquinoline, 1,2,3,4-tetrahydro-5,7,8-trimethoxy-4,4-dimethyl-
CAS No: 1267282-60-9 Catalog No: AG000T5G MDL No:
Product Description
Catalog Number:
AG000T5G
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,7,8-trimethoxy-4,4-dimethyl-
CAS Number:
1267282-60-9
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
5,7,8-trimethoxy-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H21NO3/c1-14(2)8-15-7-9-12(14)10(16-3)6-11(17-4)13(9)18-5/h6,15H,7-8H2,1-5H3
InChI Key:
WFCBEMVZYKIHJD-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1CNCC2(C)C)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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