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19143-35-2 | Pyridinium, 4-formyl-3-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-
CAS No: 19143-35-2 Catalog No: AG002F98 MDL No:
Product Description
Catalog Number:
AG002F98
Chemical Name:
Pyridinium, 4-formyl-3-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-
CAS Number:
19143-35-2
Molecular Formula:
C9H12NO3+
Molecular Weight:
182.1965
IUPAC Name:
3-hydroxy-5-(hydroxymethyl)-1,2-dimethylpyridin-1-ium-4-carbaldehyde
InChI:
InChI=1S/C9H11NO3/c1-6-9(13)8(5-12)7(4-11)3-10(6)2/h3,5,11H,4H2,1-2H3/p+1
InChI Key:
DOXRVELKSCILTO-UHFFFAOYSA-O
SMILES:
OCc1c[n+](C)c(c(c1C=O)O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.082g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.199g/mol
Monoisotopic Mass:
182.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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