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107335-97-7 | 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CAS No: 107335-97-7 Catalog No: AG01A7W1 MDL No:MFCD14705848
Product Description
Catalog Number:
AG01A7W1
Chemical Name:
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CAS Number:
107335-97-7
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD14705848
IUPAC Name:
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
InChI:
InChI=1S/C12H15NO.ClH/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-5,9,13H,6-8H2,1H3;1H
InChI Key:
HAPHGSWHUVIAMY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1=CCNCC1.Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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