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88631-63-4 | Pyridine, 2,3,4,5-tetrahydro-5-[(4-methylphenyl)methylene]-
CAS No: 88631-63-4 Catalog No: AG0049UR MDL No:
Product Description
Catalog Number:
AG0049UR
Chemical Name:
Pyridine, 2,3,4,5-tetrahydro-5-[(4-methylphenyl)methylene]-
CAS Number:
88631-63-4
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
5-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-pyridine
InChI:
InChI=1S/C13H15N/c1-11-4-6-12(7-5-11)9-13-3-2-8-14-10-13/h4-7,9-10H,2-3,8H2,1H3
InChI Key:
SNHCZWZEZMYWDE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=C1CCCN=C1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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