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115752-01-7 | Quinoline, 4-(1,4-dioxan-2-yl)-
CAS No: 115752-01-7 Catalog No: AG000GU7 MDL No:
Product Description
Catalog Number:
AG000GU7
Chemical Name:
Quinoline, 4-(1,4-dioxan-2-yl)-
CAS Number:
115752-01-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
4-(1,4-dioxan-2-yl)quinoline
InChI:
InChI=1S/C13H13NO2/c1-2-4-12-10(3-1)11(5-6-14-12)13-9-15-7-8-16-13/h1-6,13H,7-9H2
InChI Key:
BAESKIJEULQPDH-UHFFFAOYSA-N
SMILES:
C1COC(CO1)c1ccnc2c1cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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