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828275-54-3 | 3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1)
CAS No: 828275-54-3 Catalog No: AG0055PJ MDL No:
Product Description
Catalog Number:
AG0055PJ
Chemical Name:
3-Pyridinecarboxylic acid, 5-hydroxy-, compd. with 3-amino-1-propanol(1:1)
CAS Number:
828275-54-3
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
3-aminopropan-1-ol;5-hydroxypyridine-3-carboxylic acid
InChI:
InChI=1S/C6H5NO3.C3H9NO/c8-5-1-4(6(9)10)2-7-3-5;4-2-1-3-5/h1-3,8H,(H,9,10);5H,1-4H2
InChI Key:
BUNZTADTZVHLKT-UHFFFAOYSA-N
SMILES:
Oc1cncc(c1)C(=O)O.NCCCO
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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