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50610-14-5 | 2-Propenoic acid, 3-(2-pyridinyl)-, methyl ester
CAS No: 50610-14-5 Catalog No: AG00I939 MDL No:
Product Description
Catalog Number:
AG00I939
Chemical Name:
2-Propenoic acid, 3-(2-pyridinyl)-, methyl ester
CAS Number:
50610-14-5
IUPAC Name:
methyl (E)-3-pyridin-2-ylprop-2-enoate
InChI:
InChI=1S/C9H9NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-7H,1H3/b6-5+
InChI Key:
CPRVUFHSLSLFOF-AATRIKPKSA-N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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