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153643-98-2 | 6-methyl-3,6,7,8-tetrahydro-2H-spiro[[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] hydrochloride
CAS No: 153643-98-2 Catalog No: AG019KBK MDL No:MFCD09296975
Product Description
Catalog Number:
AG019KBK
Chemical Name:
6-methyl-3,6,7,8-tetrahydro-2H-spiro[[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] hydrochloride
CAS Number:
153643-98-2
Molecular Formula:
C16H22ClNO2
Molecular Weight:
295.8044
MDL Number:
MFCD09296975
IUPAC Name:
6-methylspiro[3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane];hydrochloride
InChI:
InChI=1S/C16H21NO2.ClH/c1-11-12-8-14-15(19-7-6-18-14)9-13(12)16(10-17-11)4-2-3-5-16;/h8-9,11,17H,2-7,10H2,1H3;1H
InChI Key:
FQDZOPFEBBWUQZ-UHFFFAOYSA-N
SMILES:
CC1NCC2(c3c1cc1OCCOc1c3)CCCC2.Cl
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.807g/mol
Monoisotopic Mass:
295.134g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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