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30932-85-5 | 3-Pyrrolidinecarboxylic acid, 1-methyl-2-oxo-, ethyl ester
CAS No: 30932-85-5 Catalog No: AG0031P5 MDL No:
Product Description
Catalog Number:
AG0031P5
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-methyl-2-oxo-, ethyl ester
CAS Number:
30932-85-5
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
ethyl 1-methyl-2-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-3-12-8(11)6-4-5-9(2)7(6)10/h6H,3-5H2,1-2H3
InChI Key:
BBSDXFARRGNIRB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(C1=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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