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Home > Pyridines > 154581-06-3
154581-06-3 | 2-methyl-3-(pyridin-4-yl)prop-2-enoic acid
CAS No: 154581-06-3 Catalog No: AG01B23K MDL No:MFCD06207034
Product Description
Catalog Number:
AG01B23K
Chemical Name:
2-methyl-3-(pyridin-4-yl)prop-2-enoic acid
CAS Number:
154581-06-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD06207034
IUPAC Name:
2-methyl-3-pyridin-4-ylprop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c1-7(9(11)12)6-8-2-4-10-5-3-8/h2-6H,1H3,(H,11,12)
InChI Key:
PMKGGGAWCRUVNC-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccncc1)C(=O)O
Properties
Complexity:
193
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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