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127605-74-7 | 2,5-Piperazinedione, 1-(hydroxymethyl)-4-methyl-
CAS No: 127605-74-7 Catalog No: AG000X7E MDL No:
Product Description
Catalog Number:
AG000X7E
Chemical Name:
2,5-Piperazinedione, 1-(hydroxymethyl)-4-methyl-
CAS Number:
127605-74-7
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
1-(hydroxymethyl)-4-methylpiperazine-2,5-dione
InChI:
InChI=1S/C6H10N2O3/c1-7-2-6(11)8(4-9)3-5(7)10/h9H,2-4H2,1H3
InChI Key:
HXCMUXYQKFXXAQ-UHFFFAOYSA-N
SMILES:
OCN1CC(=O)N(CC1=O)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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