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Home > Pyridines > 179685-58-6
179685-58-6 | 6-methoxy-3-methyl-2,3,4,5-tetrahydropyridine
CAS No: 179685-58-6 Catalog No: AG01A8VV MDL No:MFCD29985625
Product Description
Catalog Number:
AG01A8VV
Chemical Name:
6-methoxy-3-methyl-2,3,4,5-tetrahydropyridine
CAS Number:
179685-58-6
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD29985625
IUPAC Name:
6-methoxy-3-methyl-2,3,4,5-tetrahydropyridine
InChI:
InChI=1S/C7H13NO/c1-6-3-4-7(9-2)8-5-6/h6H,3-5H2,1-2H3
InChI Key:
ZCKHQKFILUFNHV-UHFFFAOYSA-N
SMILES:
COC1=NCC(CC1)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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