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Chemical ID: 6687619
Chemical ID:
6687619
Name [?]:
1,2-bis(dimethoxyphosphoryl)benzene
SMILES [?]:
COP(=O)(c1ccccc1P(=O)(OC)OC)OC
InChi [?]:
InChI=1/C10H16O6P2/c1-13-17(11,14-2)9-7-5-6-8-10(9)18(12,15-3)16-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,14,16,7,8,6,9,5,10,4,12,2,17,13,15,3,11/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18)/rA:18nCOPOCCCCCCPOOCOCOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s11;s15;s3;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O6P2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.43727 |
Area: | 415.9 |
Solvation: | -4.96022 |
Coulombic: | -51.3278 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 294.178 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.46 |
LogP (Chemaxon): | 0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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