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132807-30-8 | 2-Pyridineacetic acid, 5-hydroxy-, ethyl ester
CAS No: 132807-30-8 Catalog No: AG00117V MDL No:MFCD20922910
Product Description
Catalog Number:
AG00117V
Chemical Name:
2-Pyridineacetic acid, 5-hydroxy-, ethyl ester
CAS Number:
132807-30-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD20922910
IUPAC Name:
ethyl 2-(5-hydroxypyridin-2-yl)acetate
InChI:
InChI=1S/C9H11NO3/c1-2-13-9(12)5-7-3-4-8(11)6-10-7/h3-4,6,11H,2,5H2,1H3
InChI Key:
IYVKIIBOBRYNGK-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cn1)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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