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Home > Pyridines > 144466-72-8
144466-72-8 | Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenoxy-, ethanedioate (1:1)
CAS No: 144466-72-8 Catalog No: AG001JL0 MDL No:
Product Description
Catalog Number:
AG001JL0
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenoxy-, ethanedioate (1:1)
CAS Number:
144466-72-8
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid
InChI:
InChI=1S/C12H15NO.C2H2O4/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-7H,8-10H2,1H3;(H,3,4)(H,5,6)
InChI Key:
WVFJOLOOFGTCQV-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN1CCC(=CC1)Oc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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