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24794-44-3 | 1,3-Propanediol, 2,2-bis[[(aminocarbonyl)oxy]methyl]-, 1,3-dicarbamate
CAS No: 24794-44-3 Catalog No: AG002PGZ MDL No:
Product Description
Catalog Number:
AG002PGZ
Chemical Name:
1,3-Propanediol, 2,2-bis[[(aminocarbonyl)oxy]methyl]-, 1,3-dicarbamate
CAS Number:
24794-44-3
Molecular Formula:
C9H16N4O8
Molecular Weight:
308.2453
IUPAC Name:
[3-carbamoyloxy-2,2-bis(carbamoyloxymethyl)propyl] carbamate
InChI:
InChI=1S/C9H16N4O8/c10-5(14)18-1-9(2-19-6(11)15,3-20-7(12)16)4-21-8(13)17/h1-4H2,(H2,10,14)(H2,11,15)(H2,12,16)(H2,13,17)
InChI Key:
VNHRHKFZZHJVBI-UHFFFAOYSA-N
SMILES:
NC(=O)OCC(COC(=O)N)(COC(=O)N)COC(=O)N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.247g/mol
Monoisotopic Mass:
308.097g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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