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100911-10-2 | 1-Pyrrolidinecarboxylic acid, 2-methyl-4-oxo-, ethyl ester
CAS No: 100911-10-2 Catalog No: AG000372 MDL No:
Product Description
Catalog Number:
AG000372
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-methyl-4-oxo-, ethyl ester
CAS Number:
100911-10-2
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-3-12-8(11)9-5-7(10)4-6(9)2/h6H,3-5H2,1-2H3
InChI Key:
GGKLUWZMFUYGLB-UHFFFAOYSA-N
SMILES:
CC1CC(=O)CN1C(=O)OCC
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:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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