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85414-24-0 | SODIUM 1-BUTYL-5-OXO-PYRROLIDINE-3-CARBOXYLATE
CAS No: 85414-24-0 Catalog No: AG004SWZ MDL No:
Product Description
Catalog Number:
AG004SWZ
Chemical Name:
SODIUM 1-BUTYL-5-OXO-PYRROLIDINE-3-CARBOXYLATE
CAS Number:
85414-24-0
Molecular Formula:
C9H14NNaO3
Molecular Weight:
207.2021
IUPAC Name:
sodium;1-butyl-5-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C9H15NO3.Na/c1-2-3-4-10-6-7(9(12)13)5-8(10)11;/h7H,2-6H2,1H3,(H,12,13);/q;+1/p-1
InChI Key:
PIHMVPGVJKLVOI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C1CN(C(=O)C1)CCCC.[Na+]
EC Number:
287-194-2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.205g/mol
Monoisotopic Mass:
207.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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