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17012-21-4 | Methyl 1-benzylpyrrolidine-3-carboxylate
CAS No: 17012-21-4 Catalog No: AG003S16 MDL No:MFCD04038678
Product Description
Catalog Number:
AG003S16
Chemical Name:
Methyl 1-benzylpyrrolidine-3-carboxylate
CAS Number:
17012-21-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD04038678
IUPAC Name:
methyl 1-benzylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
GDWFCUOFVSNTTG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(C1)Cc1ccccc1
Properties
Complexity:
236
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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