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Chemical ID: 3965369
Chemical ID:
3965369
Name [?]:
(1-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienyl)phosphonic acid
SMILES [?]:
CC(=CCCC(=CCCC(=CC(O)P(=O)(O)O)C)C)C
InChi [?]:
InChI=1/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,18,4,8,3,5,7,9,11,2,6,10,12,13,15,16,17,14/E:(1,2)(17,18,19)/rA:20cCCCCCCCCCCCCOPOOOCCC/rB:s1;d2;s3;s4;s5;w6;s7;s8;s9;w10;s11;s12;s12;d14;s14;s14;s10;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H27O4P |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.86709 |
Area: | 542.174 |
Solvation: | -3.68727 |
Coulombic: | -61.8519 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 302.346 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.3 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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