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18342-66-0 | 2,5-Pyrrolidinedione, 1-[[(methylamino)carbonyl]oxy]-
CAS No: 18342-66-0 Catalog No: AG0027K5 MDL No:MFCD00800292
Product Description
Catalog Number:
AG0027K5
Chemical Name:
2,5-Pyrrolidinedione, 1-[[(methylamino)carbonyl]oxy]-
CAS Number:
18342-66-0
Molecular Formula:
C6H8N2O4
Molecular Weight:
172.1387
MDL Number:
MFCD00800292
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate
InChI:
InChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,7,11)
InChI Key:
XMNGSPOWUCNRMO-UHFFFAOYSA-N
SMILES:
CNC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.14g/mol
Monoisotopic Mass:
172.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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