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80061-37-6 | 3-Quinolinecarboxylicacid, 4-(acetyloxy)-6-(decyloxy)-7-(1-methylethoxy)-, methyl ester
CAS No: 80061-37-6 Catalog No: AG00559X MDL No:
Product Description
Catalog Number:
AG00559X
Chemical Name:
3-Quinolinecarboxylicacid, 4-(acetyloxy)-6-(decyloxy)-7-(1-methylethoxy)-, methyl ester
CAS Number:
80061-37-6
Molecular Formula:
C26H37NO6
Molecular Weight:
459.5751
IUPAC Name:
methyl 4-acetyloxy-6-decoxy-7-propan-2-yloxyquinoline-3-carboxylate
InChI:
InChI=1S/C26H37NO6/c1-6-7-8-9-10-11-12-13-14-31-23-15-20-22(16-24(23)32-18(2)3)27-17-21(26(29)30-5)25(20)33-19(4)28/h15-18H,6-14H2,1-5H3
InChI Key:
ISDDWBWOYLMQJB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc2c(cc1OC(C)C)ncc(c2OC(=O)C)C(=O)OC
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.262g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.583g/mol
Monoisotopic Mass:
459.262g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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