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66869-71-4 | ETHYL 3-(4-PYRIDYL)PROPIOLATE
CAS No: 66869-71-4 Catalog No: AG003Q60 MDL No:MFCD23381103
Product Description
Catalog Number:
AG003Q60
Chemical Name:
ETHYL 3-(4-PYRIDYL)PROPIOLATE
CAS Number:
66869-71-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD23381103
IUPAC Name:
ethyl 3-pyridin-4-ylprop-2-ynoate
InChI:
InChI=1S/C10H9NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h5-8H,2H2,1H3
InChI Key:
DJFGCHADKAHSFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#Cc1ccncc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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