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144602-10-8 | Butanoic acid, 4-chloro-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 144602-10-8 Catalog No: AG001JUD MDL No:
Product Description
Catalog Number:
AG001JUD
Chemical Name:
Butanoic acid, 4-chloro-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
144602-10-8
Molecular Formula:
C8H10ClNO4
Molecular Weight:
219.6223
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-chlorobutanoate
InChI:
InChI=1S/C8H10ClNO4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h1-5H2
InChI Key:
DJPRBBGYAQOVMY-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.621g/mol
Monoisotopic Mass:
219.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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