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129779-14-2 | Propanoic acid, 2-bromo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 129779-14-2 Catalog No: AG000TOD MDL No:
Product Description
Catalog Number:
AG000TOD
Chemical Name:
Propanoic acid, 2-bromo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
129779-14-2
Molecular Formula:
C7H8BrNO4
Molecular Weight:
250.0467
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-bromopropanoate
InChI:
InChI=1S/C7H8BrNO4/c1-4(8)7(12)13-9-5(10)2-3-6(9)11/h4H,2-3H2,1H3
InChI Key:
GDKVUAJKAVYYIG-UHFFFAOYSA-N
SMILES:
CC(C(=O)ON1C(=O)CCC1=O)Br
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.048g/mol
Monoisotopic Mass:
248.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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