Home Other Building Blocks methyl (2E)-3-(6-hydroxypyridin-3-yl)prop-2-enoate

methyl (2E)-3-(6-hydroxypyridin-3-yl)prop-2-enoate

CAS No.:
2079128-27-9
Catalog Number:
AG01EMM0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG01EMM0
Chemical Name:
methyl (2E)-3-(6-hydroxypyridin-3-yl)prop-2-enoate
CAS Number:
2079128-27-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD31617136
IUPAC Name:
methyl (E)-3-(6-oxo-1H-pyridin-3-yl)prop-2-enoate
InChI:
InChI=1S/C9H9NO3/c1-13-9(12)5-3-7-2-4-8(11)10-6-7/h2-6H,1H3,(H,10,11)/b5-3+
InChI Key:
XOEQVUQSAMZHBJ-HWKANZROSA-N
SMILES:
COC(=O)/C=C/c1ccc(nc1)O
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
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:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties