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71351-48-9 | 3-Pyridinepropanoicacid, 6-methyl-, ethyl ester
CAS No: 71351-48-9 Catalog No: AG005IZL MDL No:
Product Description
Catalog Number:
AG005IZL
Chemical Name:
3-Pyridinepropanoicacid, 6-methyl-, ethyl ester
CAS Number:
71351-48-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
ethyl 3-(6-methylpyridin-3-yl)propanoate
InChI:
InChI=1S/C11H15NO2/c1-3-14-11(13)7-6-10-5-4-9(2)12-8-10/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
ZABMIGDVOIATQB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(nc1)C
EC Number:
275-353-9
Properties
Complexity:
182
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:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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