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19730-77-9 | Phosphonic acid, P-[2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethenyl]-
CAS No: 19730-77-9 Catalog No: AG002AQA MDL No:
Product Description
Catalog Number:
AG002AQA
Chemical Name:
Phosphonic acid, P-[2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethenyl]-
CAS Number:
19730-77-9
Molecular Formula:
C9H12NO5P
Molecular Weight:
245.1690
IUPAC Name:
2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethenylphosphonic acid
InChI:
InChI=1S/C9H12NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h2-4,11-12H,5H2,1H3,(H2,13,14,15)
InChI Key:
DEAVFBYTYRIWQV-UHFFFAOYSA-N
SMILES:
OCc1c(cnc(c1O)C)C=CP(=O)(O)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.171g/mol
Monoisotopic Mass:
245.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.4
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