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1217859-15-8 | L-Proline, 2-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217859-15-8 Catalog No: AG001615 MDL No:MFCD06796766
Product Description
Catalog Number:
AG001615
Chemical Name:
L-Proline, 2-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217859-15-8
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD06796766
IUPAC Name:
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c1-10-5-2-3-6-11(10)9-13(12(15)16)7-4-8-14-13;/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16);1H/t13-;/m1./s1
InChI Key:
CDBIBJDHAAXDCY-BTQNPOSSSA-N
SMILES:
OC(=O)[C@@]1(CCCN1)Cc1ccccc1C.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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