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16632-09-0 | 2-Pyridineethanol, 2-acetate
CAS No: 16632-09-0 Catalog No: AG001WN8 MDL No:
Product Description
Catalog Number:
AG001WN8
Chemical Name:
2-Pyridineethanol, 2-acetate
CAS Number:
16632-09-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
2-pyridin-2-ylethyl acetate
InChI:
InChI=1S/C9H11NO2/c1-8(11)12-7-5-9-4-2-3-6-10-9/h2-4,6H,5,7H2,1H3
InChI Key:
QJMDHSUWAIPQAF-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1ccccn1
NSC Number:
25510
Properties
Complexity:
148
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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