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Chemical ID: 4990609
Chemical ID:
4990609
Name [?]:
ethyl 2,2-diphenylpropanoate
SMILES [?]:
CCOC(=O)C(C)(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C17H18O2/c1-3-19-16(18)17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,11,17,10,12,16,18,9,13,15,19,8,14,4,6,5,3/E:(4,5)(6,7,8,9)(10,11,12,13)(14,15)/rA:19nCCOCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28199 |
Area: | 446.035 |
Solvation: | -1.8689 |
Coulombic: | -23.4121 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.324 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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