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Chemical ID: 4164515
Chemical ID:
4164515
Name [?]:
benzyloxyphosphonic acid
SMILES [?]:
c1ccc(cc1)COP(=O)(O)O
InChi [?]:
InChI=1/C7H9O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,10,11,12,8,9/E:(2,3)(4,5)(8,9,10)/rA:12nCCCCCCCOPOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9O4P |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.73133 |
Area: | 345.888 |
Solvation: | -2.91586 |
Coulombic: | -53.9636 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.118 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.02 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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