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Chemical ID: 4570738
Chemical ID:
4570738
Name [?]:
1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethanone
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)C
InChi [?]:
InChI=1/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,7,8,3,5,2,11,6,4,9,12,10/rA:13cCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.81189 |
Area: | 343.363 |
Solvation: | -2.77217 |
Coulombic: | -15.0403 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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