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1256804-64-4 | 3-Pyridineacetic acid, 5-methyl-, methyl ester
CAS No: 1256804-64-4 Catalog No: AG000OE1 MDL No:MFCD18256246
Product Description
Catalog Number:
AG000OE1
Chemical Name:
3-Pyridineacetic acid, 5-methyl-, methyl ester
CAS Number:
1256804-64-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD18256246
IUPAC Name:
methyl 2-(5-methylpyridin-3-yl)acetate
InChI:
InChI=1S/C9H11NO2/c1-7-3-8(6-10-5-7)4-9(11)12-2/h3,5-6H,4H2,1-2H3
InChI Key:
RVEZFLOUMBNDNN-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cncc(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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