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141976-07-0 | 3-Pyrrolidinecarboxylic acid, 4-hydroxy-1-methyl-5-oxo-, ethyl ester
CAS No: 141976-07-0 Catalog No: AG001HGX MDL No:
Product Description
Catalog Number:
AG001HGX
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-hydroxy-1-methyl-5-oxo-, ethyl ester
CAS Number:
141976-07-0
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
ethyl 4-hydroxy-1-methyl-5-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C8H13NO4/c1-3-13-8(12)5-4-9(2)7(11)6(5)10/h5-6,10H,3-4H2,1-2H3
InChI Key:
IPOPPUVIIJQXNA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(C(=O)C1O)C
Properties
Complexity:
228
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:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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