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122170-10-9 | 2,5-Piperazinedione, 3-methoxy-6-(1-methylethyl)-, (3S-cis)- (9CI)
CAS No: 122170-10-9 Catalog No: AG0016VH MDL No:
Product Description
Catalog Number:
AG0016VH
Chemical Name:
2,5-Piperazinedione, 3-methoxy-6-(1-methylethyl)-, (3S-cis)- (9CI)
CAS Number:
122170-10-9
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
IUPAC Name:
(3S,6S)-3-methoxy-6-propan-2-ylpiperazine-2,5-dione
InChI:
InChI=1S/C8H14N2O3/c1-4(2)5-6(11)10-8(13-3)7(12)9-5/h4-5,8H,1-3H3,(H,9,12)(H,10,11)/t5-,8-/m0/s1
InChI Key:
PRKXAXOXJPZEJR-XNCJUZBTSA-N
SMILES:
CO[C@@H]1NC(=O)[C@@H](NC1=O)C(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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