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1142-43-4 | 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, phosphate (salt) (9CI)
CAS No: 1142-43-4 Catalog No: AG000ASK MDL No:
Product Description
Catalog Number:
AG000ASK
Chemical Name:
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, phosphate (salt) (9CI)
CAS Number:
1142-43-4
Molecular Formula:
C8H14NO7P
Molecular Weight:
267.1730
IUPAC Name:
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;phosphoric acid
InChI:
InChI=1S/C8H11NO3.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-5(2,3)4/h2,10-12H,3-4H2,1H3;(H3,1,2,3,4)
InChI Key:
IPGWPDHPOQYBMR-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OCc1c(CO)cnc(c1O)C
EC Number:
214-535-4
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
267.174g/mol
Monoisotopic Mass:
267.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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