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Home Carboxys 1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid hydrochloride

1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid hydrochloride

CAS No.:
1384430-61-8
Catalog Number:
AG019YN1
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
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Product Description
Catalog Number:
AG019YN1
Chemical Name:
1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid hydrochloride
CAS Number:
1384430-61-8
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
MDL Number:
MFCD22196460
IUPAC Name:
1-benzyl-2,5-dihydropyrrole-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H13NO2.ClH/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10;/h1-6H,7-9H2,(H,14,15);1H
InChI Key:
MOBCDTGFHYFJTJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCN(C1)Cc1ccccc1.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties