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Home > Pyridines > 545393-82-6
545393-82-6 | 3-(6-tert-Butyl-3-pyridinyl)acrylic acid
CAS No: 545393-82-6 Catalog No: AG01EWEZ MDL No:
Product Description
Catalog Number:
AG01EWEZ
Chemical Name:
3-(6-tert-Butyl-3-pyridinyl)acrylic acid
CAS Number:
545393-82-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
(E)-3-(6-tert-butylpyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H15NO2/c1-12(2,3)10-6-4-9(8-13-10)5-7-11(14)15/h4-8H,1-3H3,(H,14,15)/b7-5+
InChI Key:
PSVWSZRSVYEQHH-FNORWQNLSA-N
SMILES:
OC(=O)/C=C/c1ccc(nc1)C(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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