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1750-96-5 | 1-(pyridin-4-yl)ethane-1,2-diol
CAS No: 1750-96-5 Catalog No: AG01BV4D MDL No:MFCD24503482
Product Description
Catalog Number:
AG01BV4D
Chemical Name:
1-(pyridin-4-yl)ethane-1,2-diol
CAS Number:
1750-96-5
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD24503482
IUPAC Name:
1-pyridin-4-ylethane-1,2-diol
InChI:
InChI=1S/C7H9NO2/c9-5-7(10)6-1-3-8-4-2-6/h1-4,7,9-10H,5H2
InChI Key:
SYNOTUYVMZZAAQ-UHFFFAOYSA-N
SMILES:
OCC(c1ccncc1)O
Properties
Complexity:
91.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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