Home Carbonyls (Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid

(Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid

CAS No.:
1415565-98-8
Catalog Number:
AG00IM3V
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
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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
MDL Number:
MFCD18643423
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  
Properties