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Home > Pyridines > 1415565-98-8
1415565-98-8 | (Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid
CAS No: 1415565-98-8 Catalog No: AG00IM3V MDL No:
Product Description
Catalog Number:
AG00IM3V
Chemical Name:
(Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid
CAS Number:
1415565-98-8
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
3-methoxycarbonyl-4-pyridin-3-ylbut-3-enoic acid
InChI:
InChI=1S/C11H11NO4/c1-16-11(15)9(6-10(13)14)5-8-3-2-4-12-7-8/h2-5,7H,6H2,1H3,(H,13,14)
InChI Key:
FZOMEEPZIQGXTL-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C\c1cccnc1)/CC(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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