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Chemical ID: 5135097
Chemical ID:
5135097
Name [?]:
1,4-bis(aminooxymethyl)benzene
SMILES [?]:
c1cc(ccc1CON)CON
InChi [?]:
InChI=1/C8H12N2O2/c9-11-5-7-1-2-8(4-3-7)6-12-10/h1-4H,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,4,7,10,6,3,9,12,8,11/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCCCONCON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s3;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.86093 |
Area: | 354.63 |
Solvation: | -4.00481 |
Coulombic: | -25.3802 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 168.193 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.62 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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