Chemical ID: 4727459

CC1(Cc2cccc(c2O1)C=O)C
Chemical ID:
4727459
Name [?]:
2,2-dimethyl-3H-benzofuran-7-carbaldehyde
SMILES [?]:
CC1(Cc2cccc(c2O1)C=O)C
InChi [?]:
InChI=1/C11H12O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,7H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,6,5,7,3,11,4,8,9,2,12,10/E:(1,2)/rA:13nCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s8;d11;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.2179
Area:340.025
Solvation:-2.28272
Coulombic:-16.0315
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:2.36
LogP (Chemaxon):1.94

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Descriptor Annotations

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