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1016979-28-4 | Benzoic acid, 2-methoxy-5-(4-piperidinyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1016979-28-4 Catalog No: AG000580 MDL No:
Product Description
Catalog Number:
AG000580
Chemical Name:
Benzoic acid, 2-methoxy-5-(4-piperidinyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1016979-28-4
Molecular Formula:
C14H20ClNO3
Molecular Weight:
285.7665
IUPAC Name:
methyl 2-methoxy-5-piperidin-4-ylbenzoate;hydrochloride
InChI:
InChI=1S/C14H19NO3.ClH/c1-17-13-4-3-11(9-12(13)14(16)18-2)10-5-7-15-8-6-10;/h3-4,9-10,15H,5-8H2,1-2H3;1H
InChI Key:
MWQACTRPIUBUKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1OC)C1CCNCC1.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.768g/mol
Monoisotopic Mass:
285.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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