Chemical ID: 4570738

CC1Cc2cc(ccc2O1)C(=O)C
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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Descriptor Annotations

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