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96685-22-2 | 3-(2-OXIRANYLMETHYL)-PYRIDINE
CAS No: 96685-22-2 Catalog No: AG01BWMR MDL No:MFCD13176031
Product Description
Catalog Number:
AG01BWMR
Chemical Name:
3-(2-OXIRANYLMETHYL)-PYRIDINE
CAS Number:
96685-22-2
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD13176031
IUPAC Name:
3-(oxiran-2-ylmethyl)pyridine
InChI:
InChI=1S/C8H9NO/c1-2-7(5-9-3-1)4-8-6-10-8/h1-3,5,8H,4,6H2
InChI Key:
LIOSEXYLTCCZQK-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)CC1CO1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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