Home Other Building Blocks 3-methyl-2-(pyridin-4-yl)butanoic acid hydrochloride

3-methyl-2-(pyridin-4-yl)butanoic acid hydrochloride

CAS No.:
1803591-29-8
Catalog Number:
AG01BG27
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
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Product Description
Catalog Number:
AG01BG27
Chemical Name:
3-methyl-2-(pyridin-4-yl)butanoic acid hydrochloride
CAS Number:
1803591-29-8
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD28118808
IUPAC Name:
3-methyl-2-pyridin-4-ylbutanoic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-7(2)9(10(12)13)8-3-5-11-6-4-8;/h3-7,9H,1-2H3,(H,12,13);1H
InChI Key:
UBXHTCLLESHAII-UHFFFAOYSA-N
SMILES:
CC(C(c1ccncc1)C(=O)O)C.Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties