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83898-21-9 | 2-Pyridinecarboxylicacid, 4-(3-phenylpropyl)-
CAS No: 83898-21-9 Catalog No: AG005401 MDL No:
Product Description
Catalog Number:
AG005401
Chemical Name:
2-Pyridinecarboxylicacid, 4-(3-phenylpropyl)-
CAS Number:
83898-21-9
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
4-(3-phenylpropyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C15H15NO2/c17-15(18)14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,18)
InChI Key:
DWROTCRJYBGTDY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)CCCc1ccccc1
EC Number:
281-230-0
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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