Home Pyridines 66869-74-7
66869-74-7,MFCD14707287
Catalog No.:AA003I2N
66869-74-7 | 3-(4-Pyridyl)propiolic acid
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1g
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$469.00   $328.00
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Technical Information
Catalog Number:
AA003I2N
Chemical Name:
3-(4-Pyridyl)propiolic acid
CAS Number:
66869-74-7
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD14707287
IUPAC Name:
3-pyridin-4-ylprop-2-ynoic acid
InChI:
InChI=1S/C8H5NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,(H,10,11)
InChI Key:
XXZFDZHMDVKNLX-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1ccncc1
Properties
Computed Properties
 
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
3-(4-Pyridyl)propiolic Acid 
66869-74-7 
ZINC39049723 
AKOS012991254 
TRA0042992 
AJ-97469 
CS-11486 
SY022408 
FT-0710398 
3-(4-Pyridinyl)-2-propynoic acid, AldrichCPR 
MFCD14707287 (95+%) 
C8H5NO2 
3-(Pyridin-4-yl)propiolic acid 
2-Propynoic acid, 3-(4-pyridinyl)- (9CI) 
3-pyridin-4-ylprop-2-ynoic acid 
3-(PYRIDIN-4-YL)PROP-2-YNOIC ACID 
3-(4-Pyridyl)propiolicAcid 
SCHEMBL6121181 
KS-00000CU0 
5670AJ 
MFCD14707287 
Literature
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