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10080-92-9 | 3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, ethyl ester
CAS No: 10080-92-9 Catalog No: AG0002WZ MDL No:
Product Description
Catalog Number:
AG0002WZ
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, ethyl ester
CAS Number:
10080-92-9
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
ethyl 1-methyl-5-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-3-12-8(11)6-4-7(10)9(2)5-6/h6H,3-5H2,1-2H3
InChI Key:
YFVCDGSSEOJQQP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(=O)N(C1)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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