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Home > Pyridines > 1564780-37-5
1564780-37-5 | 2-(3-methoxypyridin-2-yl)-4-methylpentanoic acid
CAS No: 1564780-37-5 Catalog No: AG01BF94 MDL No:MFCD26912527
Product Description
Catalog Number:
AG01BF94
Chemical Name:
2-(3-methoxypyridin-2-yl)-4-methylpentanoic acid
CAS Number:
1564780-37-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD26912527
IUPAC Name:
2-(3-methoxypyridin-2-yl)-4-methylpentanoic acid
InChI:
InChI=1S/C12H17NO3/c1-8(2)7-9(12(14)15)11-10(16-3)5-4-6-13-11/h4-6,8-9H,7H2,1-3H3,(H,14,15)
InChI Key:
AXIDLLACPCUGPN-UHFFFAOYSA-N
SMILES:
COc1cccnc1C(C(=O)O)CC(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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