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1488855-81-7 | 2-(pyridin-3-yl)propane-1,3-diol
CAS No: 1488855-81-7 Catalog No: AG01B846 MDL No:MFCD21199012
Product Description
Catalog Number:
AG01B846
Chemical Name:
2-(pyridin-3-yl)propane-1,3-diol
CAS Number:
1488855-81-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD21199012
IUPAC Name:
2-pyridin-3-ylpropane-1,3-diol
InChI:
InChI=1S/C8H11NO2/c10-5-8(6-11)7-2-1-3-9-4-7/h1-4,8,10-11H,5-6H2
InChI Key:
BSPDLDVGOSRWQZ-UHFFFAOYSA-N
SMILES:
OCC(c1cccnc1)CO
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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