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Chemical ID: 4956474
Chemical ID:
4956474
Name [?]:
ethyl 2-hydroxy-3,3-diphenyl-propanoate
SMILES [?]:
CCOC(=O)C(C(c1ccccc1)c2ccccc2)O
InChi [?]:
InChI=1/C17H18O3/c1-2-20-17(19)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,17,10,12,16,18,9,13,15,19,8,14,7,6,4,20,5,3/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)/rA:20cCCOCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.2141 |
Area: | 449.194 |
Solvation: | -3.01575 |
Coulombic: | -39.7319 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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