Home Other Building Blocks methyl 3-(pyridin-4-yl)but-2-enoate

methyl 3-(pyridin-4-yl)but-2-enoate

CAS No.:
1562250-08-1
Catalog Number:
AG019YW9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG019YW9
Chemical Name:
methyl 3-(pyridin-4-yl)but-2-enoate
CAS Number:
1562250-08-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD29033722
IUPAC Name:
methyl 3-pyridin-4-ylbut-2-enoate
InChI:
InChI=1S/C10H11NO2/c1-8(7-10(12)13-2)9-3-5-11-6-4-9/h3-7H,1-2H3
InChI Key:
SSEZPUXYGJOUOC-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(c1ccncc1)C
Properties
Complexity:
205  
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  
Properties