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143887-87-0 | Pyridine, 1,2,3,6-tetrahydro-4-phenyl-1-propyl-, ethanedioate (1:1)
CAS No: 143887-87-0 Catalog No: AG001IKY MDL No:
Product Description
Catalog Number:
AG001IKY
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-4-phenyl-1-propyl-, ethanedioate (1:1)
CAS Number:
143887-87-0
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
oxalic acid;4-phenyl-1-propyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C14H19N.C2H2O4/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13;3-1(4)2(5)6/h3-8H,2,9-12H2,1H3;(H,3,4)(H,5,6)
InChI Key:
MWMXLAOYEOXYOY-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCN1CCC(=CC1)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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