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96517-51-0 | Quinoline, 4-(1,3-dioxan-4-yl)-2-methyl-
CAS No: 96517-51-0 Catalog No: AG006QP6 MDL No:
Product Description
Catalog Number:
AG006QP6
Chemical Name:
Quinoline, 4-(1,3-dioxan-4-yl)-2-methyl-
CAS Number:
96517-51-0
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
4-(1,3-dioxan-4-yl)-2-methylquinoline
InChI:
InChI=1S/C14H15NO2/c1-10-8-12(14-6-7-16-9-17-14)11-4-2-3-5-13(11)15-10/h2-5,8,14H,6-7,9H2,1H3
InChI Key:
NDXDNOZGKINHEE-UHFFFAOYSA-N
SMILES:
Cc1cc(C2CCOCO2)c2c(n1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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