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69582-95-2 | 4-Pyridineacetic acid, 2-methyl-, methyl ester
CAS No: 69582-95-2 Catalog No: AG005K46 MDL No:
Product Description
Catalog Number:
AG005K46
Chemical Name:
4-Pyridineacetic acid, 2-methyl-, methyl ester
CAS Number:
69582-95-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
methyl 2-(2-methylpyridin-4-yl)acetate
InChI:
InChI=1S/C9H11NO2/c1-7-5-8(3-4-10-7)6-9(11)12-2/h3-5H,6H2,1-2H3
InChI Key:
CMIQBOGUZCQITE-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccnc(c1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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