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Chemical ID: 3968953
Chemical ID:
3968953
Name [?]:
4-[2-(5,5,8,8-tetramethyltetralin-2-yl)prop-1-enyl]benzoic acid
SMILES [?]:
CC(=Cc1ccc(cc1)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C
InChi [?]:
InChI=1/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,26,5,9,6,8,14,15,21,20,3,18,2,4,7,13,16,17,10,22,19,11,12/E:(2,3)(4,5)(6,7)(8,9)(25,26)/rA:26nCCCCCCCCCCOOCCCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s2;s13;d14;s15;d16;d13s17;s17;s19;s20;s16s21;s22;s22;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5435 |
Area: | 571.657 |
Solvation: | -1.74793 |
Coulombic: | -32.2118 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.65 |
LogP (Chemaxon): | 6.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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