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Home > Pyridines > 1251449-76-9
1251449-76-9 | 3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-enoic acid
CAS No: 1251449-76-9 Catalog No: AG01AHKS MDL No:MFCD14688043
Product Description
Catalog Number:
AG01AHKS
Chemical Name:
3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-enoic acid
CAS Number:
1251449-76-9
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD14688043
IUPAC Name:
3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C10H10N2O3/c1-11-10(15)8-4-7(5-12-6-8)2-3-9(13)14/h2-6H,1H3,(H,11,15)(H,13,14)
InChI Key:
SVAJWAAMEJAMEZ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(C=CC(=O)O)cnc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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