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407634-05-3 | 1-(2-Methoxyethyl);-5-oxo-3-pyrrolidine-carboxylic acid
CAS No: 407634-05-3 Catalog No: AG003CUZ MDL No:MFCD04989723
Product Description
Catalog Number:
AG003CUZ
Chemical Name:
1-(2-Methoxyethyl);-5-oxo-3-pyrrolidine-carboxylic acid
CAS Number:
407634-05-3
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD04989723
IUPAC Name:
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
SQFXUCKQOKOBLC-UHFFFAOYSA-N
SMILES:
COCCN1CC(CC1=O)C(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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