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1217840-70-4 | L-Proline, 2-[(3-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217840-70-4 Catalog No: AG00160I MDL No:MFCD06796770
Product Description
Catalog Number:
AG00160I
Chemical Name:
L-Proline, 2-[(3-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217840-70-4
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD06796770
IUPAC Name:
(2R)-2-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c1-10-4-2-5-11(8-10)9-13(12(15)16)6-3-7-14-13;/h2,4-5,8,14H,3,6-7,9H2,1H3,(H,15,16);1H/t13-;/m1./s1
InChI Key:
KQCQAZNHHLXULF-BTQNPOSSSA-N
SMILES:
Cc1cccc(c1)C[C@]1(CCCN1)C(=O)O.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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