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155767-05-8 | 2,5-Piperazinedione, 3,6-dimethyl-1-(2-propenyl)-, (3S-trans)- (9CI)
CAS No: 155767-05-8 Catalog No: AG001O61 MDL No:
Product Description
Catalog Number:
AG001O61
Chemical Name:
2,5-Piperazinedione, 3,6-dimethyl-1-(2-propenyl)-, (3S-trans)- (9CI)
CAS Number:
155767-05-8
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
(3S,6R)-3,6-dimethyl-1-prop-2-enylpiperazine-2,5-dione
InChI:
InChI=1S/C9H14N2O2/c1-4-5-11-7(3)8(12)10-6(2)9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,12)/t6-,7+/m0/s1
InChI Key:
ZAKWKBMCCAHXII-NKWVEPMBSA-N
SMILES:
C[C@H]1N(CC=C)C(=O)[C@@H](NC1=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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