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10072-09-0 | 3-Pyridinemethanol, 3-acetate
CAS No: 10072-09-0 Catalog No: AG0002PU MDL No:
Product Description
Catalog Number:
AG0002PU
Chemical Name:
3-Pyridinemethanol, 3-acetate
CAS Number:
10072-09-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
pyridin-3-ylmethyl acetate
InChI:
InChI=1S/C8H9NO2/c1-7(10)11-6-8-3-2-4-9-5-8/h2-5H,6H2,1H3
InChI Key:
FPXVLCLVAIUGPW-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cccnc1
EC Number:
600-124-0
NSC Number:
165241
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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