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Home > Pyridines > 924876-59-5
924876-59-5 | 3-[4-propoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924876-59-5 Catalog No: AG019Q2E MDL No:MFCD08445041
Product Description
Catalog Number:
AG019Q2E
Chemical Name:
3-[4-propoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924876-59-5
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
MDL Number:
MFCD08445041
IUPAC Name:
3-[4-propoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C18H19NO4/c1-2-10-22-16-7-5-15(6-8-18(20)21)17(11-16)23-13-14-4-3-9-19-12-14/h3-9,11-12H,2,10,13H2,1H3,(H,20,21)
InChI Key:
UELOPXUSMHBAFS-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)OCc1cccnc1)C=CC(=O)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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