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Chemical ID: 4973248
Chemical ID:
4973248
Name [?]:
dibenzyloxyphosphinic acid
SMILES [?]:
c1ccc(cc1)COP(=O)(O)OCc2ccccc2
InChi [?]:
InChI=1/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,7,13,4,14,10,11,8,12,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:19nCCCCCCCOPOOOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15O4P |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90569 |
Area: | 480.621 |
Solvation: | -3.10984 |
Coulombic: | -49.1281 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.24 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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