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Home > Pyridines > 1909358-88-8
1909358-88-8 | 2-methyl-3-(pyridin-3-yl)prop-2-enoic acid
CAS No: 1909358-88-8 Catalog No: AG01C6HM MDL No:
Product Description
Catalog Number:
AG01C6HM
Chemical Name:
2-methyl-3-(pyridin-3-yl)prop-2-enoic acid
CAS Number:
1909358-88-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
2-methyl-3-pyridin-3-ylprop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c1-7(9(11)12)5-8-3-2-4-10-6-8/h2-6H,1H3,(H,11,12)
InChI Key:
PFLDXMZZVKOXGU-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1cccnc1)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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