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52759-01-0 | 2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
CAS No: 52759-01-0 Catalog No: AG019PWB MDL No:MFCD08444666
Product Description
Catalog Number:
AG019PWB
Chemical Name:
2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
CAS Number:
52759-01-0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD08444666
IUPAC Name:
2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
InChI:
InChI=1S/C11H13NO2/c1-2-12-7-9-6-11-10(5-8(1)9)13-3-4-14-11/h5-6,12H,1-4,7H2
InChI Key:
ZWSHCFDCQSLDIE-UHFFFAOYSA-N
SMILES:
N1CCc2c(C1)cc1c(c2)OCCO1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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