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145340-45-0 | Pyridine, 1,2,3,4-tetrahydro-1,3,4-trimethyl-4-[3-(1-methylethoxy)phenyl]-
CAS No: 145340-45-0 Catalog No: AG001KTW MDL No:
Product Description
Catalog Number:
AG001KTW
Chemical Name:
Pyridine, 1,2,3,4-tetrahydro-1,3,4-trimethyl-4-[3-(1-methylethoxy)phenyl]-
CAS Number:
145340-45-0
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
IUPAC Name:
1,3,4-trimethyl-4-(3-propan-2-yloxyphenyl)-2,3-dihydropyridine
InChI:
InChI=1S/C17H25NO/c1-13(2)19-16-8-6-7-15(11-16)17(4)9-10-18(5)12-14(17)3/h6-11,13-14H,12H2,1-5H3
InChI Key:
TUOYJZHYGHLCHZ-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)C1(C)C=CN(CC1C)C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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