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89587-04-2 | Quinoline, 4-(1,3-dioxolan-4-yl)-2-methyl-
CAS No: 89587-04-2 Catalog No: AG003XOD MDL No:
Product Description
Catalog Number:
AG003XOD
Chemical Name:
Quinoline, 4-(1,3-dioxolan-4-yl)-2-methyl-
CAS Number:
89587-04-2
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
4-(1,3-dioxolan-4-yl)-2-methylquinoline
InChI:
InChI=1S/C13H13NO2/c1-9-6-11(13-7-15-8-16-13)10-4-2-3-5-12(10)14-9/h2-6,13H,7-8H2,1H3
InChI Key:
KJPNIEPOZBORMT-UHFFFAOYSA-N
SMILES:
Cc1cc(C2COCO2)c2c(n1)cccc2
Properties
Complexity:
246
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:
2
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