Home Carboxys 2-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride

2-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride

CAS No.:
1864052-34-5
Catalog Number:
AG01C16Y
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
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Product Description
Catalog Number:
AG01C16Y
Chemical Name:
2-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
CAS Number:
1864052-34-5
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD29041300
IUPAC Name:
2-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c1-16-9-4-2-3-8(7-9)11-10(12(14)15)5-6-13-11;/h2-4,7,10-11,13H,5-6H2,1H3,(H,14,15);1H
InChI Key:
BWPXVUJRBNQHDZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1NCCC1C(=O)O.Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties