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Home > Pyridines > 1563990-58-8
1563990-58-8 | methyl 3-(pyridin-2-yl)but-2-enoate
CAS No: 1563990-58-8 Catalog No: AG01AD7V MDL No:MFCD24134884
Product Description
Catalog Number:
AG01AD7V
Chemical Name:
methyl 3-(pyridin-2-yl)but-2-enoate
CAS Number:
1563990-58-8
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD24134884
IUPAC Name:
methyl 3-pyridin-2-ylbut-2-enoate
InChI:
InChI=1S/C10H11NO2/c1-8(7-10(12)13-2)9-5-3-4-6-11-9/h3-7H,1-2H3
InChI Key:
OFLPNKBAAYZEND-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(c1ccccn1)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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