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98435-42-8 | 5-Methoxy-1-methyl-1,2,3,6-tetrahydropyridine
CAS No: 98435-42-8 Catalog No: AG01A9EF MDL No:MFCD13705327
Product Description
Catalog Number:
AG01A9EF
Chemical Name:
5-Methoxy-1-methyl-1,2,3,6-tetrahydropyridine
CAS Number:
98435-42-8
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD13705327
IUPAC Name:
5-methoxy-1-methyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h4H,3,5-6H2,1-2H3
InChI Key:
ZVLYIVWDEAHCOQ-UHFFFAOYSA-N
SMILES:
COC1=CCCN(C1)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:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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