Home Carboxys 1-Pyrrolidinecarboxylic acid, 2-formyl-, phenylmethyl ester

1-Pyrrolidinecarboxylic acid, 2-formyl-, phenylmethyl ester

CAS No.:
105706-84-1
Catalog Number:
AG0085CD
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG0085CD
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-formyl-, phenylmethyl ester
CAS Number:
105706-84-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD04115610
IUPAC Name:
benzyl 2-formylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H15NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2
InChI Key:
ASNHSGGMNWXBEI-UHFFFAOYSA-N
SMILES:
O=CC1CCCN1C(=O)OCc1ccccc1
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties