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88349-69-3 | Propanoic acid, 2-(8-quinolinyloxy)-, methyl ester
CAS No: 88349-69-3 Catalog No: AG0045Z8 MDL No:
Product Description
Catalog Number:
AG0045Z8
Chemical Name:
Propanoic acid, 2-(8-quinolinyloxy)-, methyl ester
CAS Number:
88349-69-3
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
methyl 2-quinolin-8-yloxypropanoate
InChI:
InChI=1S/C13H13NO3/c1-9(13(15)16-2)17-11-7-3-5-10-6-4-8-14-12(10)11/h3-9H,1-2H3
InChI Key:
HVDPTHIYNRIZCU-UHFFFAOYSA-N
SMILES:
COC(=O)C(Oc1cccc2c1nccc2)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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