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130312-02-6 | 1-Pyrrolidinecarboxylic acid, 3-oxo-, phenylmethyl ester
CAS No: 130312-02-6 Catalog No: AG000UA7 MDL No:MFCD03001711
Product Description
Catalog Number:
AG000UA7
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-oxo-, phenylmethyl ester
CAS Number:
130312-02-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD03001711
IUPAC Name:
benzyl 3-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H13NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
LMHWEUQNJRXMCD-UHFFFAOYSA-N
SMILES:
O=C1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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