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Home > Pyridines > 118419-99-1
118419-99-1 | 3-(5-methoxypyridin-3-yl)prop-2-enoic acid
CAS No: 118419-99-1 Catalog No: AG01A5CR MDL No:MFCD20655053
Product Description
Catalog Number:
AG01A5CR
Chemical Name:
3-(5-methoxypyridin-3-yl)prop-2-enoic acid
CAS Number:
118419-99-1
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD20655053
IUPAC Name:
3-(5-methoxypyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO3/c1-13-8-4-7(5-10-6-8)2-3-9(11)12/h2-6H,1H3,(H,11,12)
InChI Key:
MSXLMJSPKJQXBE-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)C=CC(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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