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59608-01-4 | 3-(pyridin-3-yl)propiolic acid
CAS No: 59608-01-4 Catalog No: AG00EIGB MDL No:MFCD02177466
Product Description
Catalog Number:
AG00EIGB
Chemical Name:
3-(pyridin-3-yl)propiolic acid
CAS Number:
59608-01-4
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD02177466
IUPAC Name:
3-pyridin-3-ylprop-2-ynoic acid
InChI:
InChI=1S/C8H5NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,(H,10,11)
InChI Key:
WGCAHZOLQMSYJH-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1cccnc1
NSC Number:
365172
Properties
Complexity:
211
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
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