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873293-39-1

873293-39-1 | 4-methyl-2-(pyridin-4-yl)pentanoic acid

CAS No: 873293-39-1 Catalog No: AG01B6WF MDL No:MFCD20657164

Product Description

Catalog Number:
AG01B6WF
Chemical Name:
4-methyl-2-(pyridin-4-yl)pentanoic acid
CAS Number:
873293-39-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD20657164
IUPAC Name:
4-methyl-2-pyridin-4-ylpentanoic acid
InChI:
InChI=1S/C11H15NO2/c1-8(2)7-10(11(13)14)9-3-5-12-6-4-9/h3-6,8,10H,7H2,1-2H3,(H,13,14)
InChI Key:
CGXUWRZZTADXGU-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccncc1)C(=O)O)C

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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