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78584-30-2 | Methyl 3-(3-Pyridyl)propiolate
CAS No: 78584-30-2 Catalog No: AG003RPE MDL No:MFCD18205098
Product Description
Catalog Number:
AG003RPE
Chemical Name:
Methyl 3-(3-Pyridyl)propiolate
CAS Number:
78584-30-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD18205098
IUPAC Name:
methyl 3-pyridin-3-ylprop-2-ynoate
InChI:
InChI=1S/C9H7NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,1H3
InChI Key:
JSDWMTRFFZEDCX-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1cccnc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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