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Chemical ID: 6656077
Chemical ID:
6656077
Name [?]:
6-(hydroxymethyl)-1,3-dimethyl-piperazine-2,5-dione
SMILES [?]:
CC1C(=O)N(C(C(=O)N1)CO)C
InChi [?]:
InChI=1/C7H12N2O3/c1-4-7(12)9(2)5(3-10)6(11)8-4/h4-5,10H,3H2,1-2H3,(H,8,11)
InChi Info:
AuxInfo=1/1/N:1,12,10,2,6,7,3,9,5,11,8,4/rA:12cCCCONCCONCOC/rB:s1;s2;d3;s3;s5;s6;d7;s2s7;s6;s10;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H12N2O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.96437 |
Area: | 316.921 |
Solvation: | -3.95866 |
Coulombic: | -53.3869 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.182 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.59 |
LogP (Chemaxon): | -1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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