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181114-74-9 | 3-Pyrrolidinecarboxylic acid, 3-methyl-1-(phenylmethyl)-
CAS No: 181114-74-9 Catalog No: AG0022O6 MDL No:MFCD05662803
Product Description
Catalog Number:
AG0022O6
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-methyl-1-(phenylmethyl)-
CAS Number:
181114-74-9
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD05662803
IUPAC Name:
1-benzyl-3-methylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H17NO2/c1-13(12(15)16)7-8-14(10-13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)
InChI Key:
MSUXGUJKSWGNTC-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCN(C1)Cc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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