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6457-57-4 | 4-(HYDROXYMETHYL)-1-METHYLPYRIDINIUM IODIDE
CAS No: 6457-57-4 Catalog No: AG00EJ9S MDL No:MFCD00956041
Product Description
Catalog Number:
AG00EJ9S
Chemical Name:
4-(HYDROXYMETHYL)-1-METHYLPYRIDINIUM IODIDE
CAS Number:
6457-57-4
Molecular Formula:
C7H10INO
Molecular Weight:
251.0649
MDL Number:
MFCD00956041
IUPAC Name:
(1-methylpyridin-1-ium-4-yl)methanol;iodide
InChI:
InChI=1S/C7H10NO.HI/c1-8-4-2-7(6-9)3-5-8;/h2-5,9H,6H2,1H3;1H/q+1;/p-1
InChI Key:
JJDTZZNZCVUGIF-UHFFFAOYSA-M
SMILES:
OCc1cc[n+](cc1)C.[I-]
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.067g/mol
Monoisotopic Mass:
250.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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