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Home > Pyridines > 302602-33-1
302602-33-1 | 2-Propenoic acid, 3-[4-(5-propyl-2-pyridinyl)phenyl]-
CAS No: 302602-33-1 Catalog No: AG002ZDY MDL No:
Product Description
Catalog Number:
AG002ZDY
Chemical Name:
2-Propenoic acid, 3-[4-(5-propyl-2-pyridinyl)phenyl]-
CAS Number:
302602-33-1
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
3-[4-(5-propylpyridin-2-yl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C17H17NO2/c1-2-3-14-6-10-16(18-12-14)15-8-4-13(5-9-15)7-11-17(19)20/h4-12H,2-3H2,1H3,(H,19,20)
InChI Key:
JJIZGFRMYDAVKA-UHFFFAOYSA-N
SMILES:
CCCc1ccc(nc1)c1ccc(cc1)C=CC(=O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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