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Chemical ID: 4921196
Chemical ID:
4921196
Name [?]:
None
SMILES [?]:
CC1(CC2=CC3CC2(C4C3CC5=C4CC(OC5=O)(C)C)C(=O)O1)C
InChi [?]:
InChI=1/C20H24O4/c1-18(2)8-11-5-10-7-20(11,17(22)24-18)15-12(10)6-13-14(15)9-19(3,4)23-16(13)21/h5,10,12,15H,6-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,5,11,7,3,14,6,4,10,12,13,9,17,21,2,15,8,18,22,16,23/E:(1,2)(3,4)/rA:24cCCCCCCCCCCCCCCCOCOCCCOOC/rB:s1;s2;s3;d4;s5;s6;s4s7;s8;s6s9;s10;s11;s9d12;s13;s14;s15;s12s16;d17;s15;s15;s8;d21;s2s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.41356 |
Area: | 474.061 |
Solvation: | -3.43797 |
Coulombic: | -38.3453 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 328.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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