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101623-20-5 | 2,5-Piperazinedione, 6-(hydroxymethyl)-1-methyl-
CAS No: 101623-20-5 Catalog No: AG00050D MDL No:
Product Description
Catalog Number:
AG00050D
Chemical Name:
2,5-Piperazinedione, 6-(hydroxymethyl)-1-methyl-
CAS Number:
101623-20-5
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
6-(hydroxymethyl)-1-methylpiperazine-2,5-dione
InChI:
InChI=1S/C6H10N2O3/c1-8-4(3-9)6(11)7-2-5(8)10/h4,9H,2-3H2,1H3,(H,7,11)
InChI Key:
GPIWWBCVBLPYCZ-UHFFFAOYSA-N
SMILES:
OCC1C(=O)NCC(=O)N1C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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