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71916-52-4 | 4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine
CAS No: 71916-52-4 Catalog No: AG01AETH MDL No:MFCD08689311
Product Description
Catalog Number:
AG01AETH
Chemical Name:
4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine
CAS Number:
71916-52-4
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD08689311
IUPAC Name:
4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C12H15N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-5,9,13H,6-8H2,1H3
InChI Key:
IGFTXVSSZNMDBA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1=CCNCC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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